data_1wlx_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 1wlx _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.918 0.39 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 -25.77 62.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.043 0.449 . . . . 0.0 111.051 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.502 ' HB ' ' HA ' ' A' ' 78' ' ' ALA . 1.1 pt -101.75 -6.02 9.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.203 0.525 . . . . 0.0 110.942 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -77.43 -31.02 53.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.362 0.601 . . . . 0.0 109.687 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 62.4 mm-40 -68.47 -20.64 64.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.82 172.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.87 HD13 ' HB3' ' A' ' 77' ' ' GLU . 26.8 mt -82.6 -36.42 26.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -59.42 -31.14 69.0 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 171.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.681 HD22 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -60.12 -47.77 84.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.983 178.341 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.78 -28.75 62.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.501 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 2.6 t80 -67.12 -47.54 70.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HA ' HG22 ' A' ' 96' ' ' THR . . . -65.38 -29.14 69.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.152 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -32.61 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.473 -177.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -98.95 -31.24 11.92 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.55 -177.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.2 -20.67 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.655 0.264 . . . . 0.0 110.575 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.41 -58.42 10.37 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.81 -176.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -68.16 -31.03 30.42 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.443 1.428 . . . . 0.0 111.567 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.452 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.2 t80 -66.67 -40.48 88.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.702 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -69.67 -28.13 65.61 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.411 0.624 . . . . 0.0 110.075 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.9 -40.24 48.1 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.307 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -64.63 -51.19 63.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.239 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.511 ' O ' ' HB2' ' A' ' 32' ' ' MET . 25.6 mtm -58.29 -39.93 80.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.788 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.26 -51.7 49.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.057 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -60.84 -41.13 95.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.147 0.499 . . . . 0.0 110.64 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.34 75.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.833 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.511 ' HB2' ' O ' ' A' ' 28' ' ' MET . 7.1 ttm -62.91 -35.82 81.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.444 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.96 -47.96 78.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.422 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -72.28 -34.65 68.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.357 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.17 -30.89 63.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.811 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -70.1 -44.5 68.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.53 178.549 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -70.22 135.32 48.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.906 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 6.6 tpt -74.16 120.82 20.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.909 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -72.89 138.91 46.51 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.693 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.597 ' O ' HG21 ' A' ' 40' ' ' ILE . 4.4 tp -117.28 131.84 68.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.953 173.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.87 HG21 HG12 ' A' ' 47' ' ' ILE . 4.4 m -125.34 152.99 32.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.376 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -107.7 -65.52 1.1 Allowed 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.687 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -98.04 168.1 10.49 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.214 -174.282 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.427 HG23 ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -66.42 -37.75 80.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.137 -176.227 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.687 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 1.4 mp0 -54.79 -33.1 61.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.703 177.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -79.46 -30.86 42.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.922 0.391 . . . . 0.0 110.553 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.87 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -70.05 -34.16 58.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.187 -179.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 1.5 pt-20 -81.45 -35.66 30.31 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.36 -34.78 90.3 Favored Glycine 0 C--N 1.328 0.125 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.748 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.501 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -65.98 -37.8 86.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.347 0.594 . . . . 0.0 110.189 175.339 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 47' ' ' ILE . 12.9 mt -69.16 -37.48 76.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.839 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 m -59.56 -30.97 69.01 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.953 0.406 . . . . 0.0 110.919 174.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.82 -22.81 65.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.24 0.543 . . . . 0.0 110.607 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.81 -26.83 19.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.799 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.91 -56.24 23.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.673 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -67.27 -18.64 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.717 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -74.7 -40.15 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.37 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.601 ' HE3' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.63 -14.92 63.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.653 178.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.83 -30.86 12.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.907 0.384 . . . . 0.0 110.649 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -27.82 32.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.601 HD11 ' HE3' ' A' ' 58' ' ' LYS . 2.2 mt -54.53 -57.62 17.94 Favored Pre-proline 0 C--O 1.222 -0.388 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.004 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.78 -27.92 85.28 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.861 1.707 . . . . 0.0 112.48 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -78.04 -48.67 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.427 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.94 -24.31 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.366 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.85 -47.81 81.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.101 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -68.44 -29.21 67.81 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.122 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.81 -43.44 98.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.558 176.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.47 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -62.05 -37.18 84.0 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.985 0.421 . . . . 0.0 110.524 178.601 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -72.53 -35.04 67.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.464 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.541 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . . . -73.32 -17.35 61.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.156 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.3 -37.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 72' ' ' LEU . 67.4 mt -70.12 -26.78 64.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.242 172.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 70' ' ' ALA . . . -67.44 -19.29 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.892 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.8 mt -88.9 -38.09 10.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.701 0.762 . . . . 0.0 109.626 173.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.435 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -70.22 -24.56 63.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.795 -176.815 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.45 ' HE3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -63.93 -34.43 77.95 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.894 0.378 . . . . 0.0 110.754 -178.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.87 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -77.62 -34.85 53.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.013 0.435 . . . . 0.0 110.543 179.069 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.502 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -87.43 -14.67 39.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.101 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -99.71 -31.25 11.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.166 -0.334 . . . . 0.0 111.698 -178.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -63.18 -26.07 68.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.938 -172.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pp -70.85 -33.01 50.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 0.0 110.36 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.5 -23.36 46.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.275 0.56 . . . . 0.0 110.594 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 18.3 mm-40 . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.191 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.681 ' CE2' HD22 ' A' ' 15' ' ' LEU . 18.6 m-85 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.697 0.284 . . . . 0.0 111.592 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 18' ' ' ALA . 9.0 t -128.1 114.55 17.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.195 0.521 . . . . 0.0 110.532 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.87 68.76 6.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.5 0.667 . . . . 0.0 112.084 -174.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.06 126.58 56.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.193 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.429 ' HG1' HD12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -91.64 153.04 43.91 Favored Pre-proline 0 C--N 1.316 -0.848 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.69 -40.93 38.6 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.509 2.139 . . . . 0.0 112.283 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -68.09 -41.44 81.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.275 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.473 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.1 mp -59.58 -39.01 78.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -80.18 -32.93 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.708 0.29 . . . . 0.0 111.198 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.47 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 1.6 t-20 -75.22 -48.95 21.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.931 0.396 . . . . 0.0 111.021 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.3 m -67.52 -29.16 68.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.253 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 4.7 mttt -66.51 -40.53 89.26 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.44 ' CH2' HD23 ' A' ' 61' ' ' LEU . 69.3 t-105 -61.66 -42.5 98.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.092 174.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.98 -32.47 73.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.773 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.502 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 2.8 mttt -68.22 -42.35 79.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.0 110.134 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.444 ' O ' HG22 ' A' ' 114' ' ' VAL . 49.0 t -59.86 -47.36 91.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.473 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -63.21 -40.89 98.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.723 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 2.6 pt20 -69.0 -24.16 64.18 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.563 -177.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mt -86.21 -14.13 44.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 111.008 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.706 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 72.9 t -59.95 -57.26 28.1 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.858 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.706 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 25.1 Cg_exo -63.43 -39.91 34.18 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.547 2.165 . . . . 0.0 112.289 -177.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -53.52 -48.06 69.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.165 0.507 . . . . 0.0 110.738 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.518 ' HG3' HD12 ' A' ' 121' ' ' LEU . 0.8 OUTLIER -76.18 -37.09 58.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.809 -179.403 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.81 -29.76 70.74 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.292 0.567 . . . . 0.0 110.4 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -80.23 -47.37 14.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.577 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.48 87.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.893 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.518 HD12 ' HG3' ' A' ' 117' ' ' ARG . 18.6 mt -62.33 -52.32 64.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.742 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.0 OUTLIER -68.41 -33.56 74.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.639 -177.458 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.42 -44.15 79.48 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.334 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -43.13 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.742 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -66.87 -26.8 67.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.003 -178.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.3 m -84.57 -8.89 58.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.968 0.413 . . . . 0.0 111.296 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.29 6.37 37.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.119 0.485 . . . . 0.0 110.107 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.459 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 25.1 mm-40 -83.37 -128.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.728 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.459 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 1.4 pt20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.383 -0.817 . . . . 0.0 110.046 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.92 0.39 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.22 -39.77 65.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.307 0.575 . . . . 0.0 109.956 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.435 HG23 HG23 ' A' ' 81' ' ' ILE . 1.1 pt -84.34 -5.33 9.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.497 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.569 ' O ' HD21 ' A' ' 15' ' ' LEU . 1.5 t0 -71.94 -24.35 61.61 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -73.22 -28.34 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.386 174.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -72.64 -34.36 67.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 170.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 33.5 m170 -62.19 -29.93 70.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.623 175.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.761 HD12 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -64.38 -44.9 89.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 175.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.85 -35.37 80.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.375 0.607 . . . . 0.0 110.088 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.598 ' HB3' HG22 ' A' ' 96' ' ' THR . 0.4 OUTLIER -68.83 -42.36 77.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.151 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.39 -13.85 60.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.383 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -27.21 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 0.0 111.134 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.464 ' O ' ' HD2' ' A' ' 23' ' ' PRO . 31.7 mtp85 -100.12 -42.06 6.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.759 0.314 . . . . 0.0 111.427 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 17' ' ' TYR . . . -73.93 -9.2 58.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.954 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.431 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -73.84 -55.53 3.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.639 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' ' 20' ' ' ARG . 19.6 Cg_exo -66.7 -30.14 42.11 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.739 1.626 . . . . 0.0 111.194 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.58 -42.69 91.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.537 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -72.03 -28.37 63.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.344 0.592 . . . . 0.0 109.93 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -73.55 -35.64 65.53 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.099 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -66.57 -50.64 62.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.607 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.7 mtt -55.59 -49.56 72.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.375 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -41.59 86.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.313 -177.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 m -78.71 -36.27 43.7 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.387 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.97 -52.18 9.83 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -175.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.569 ' HE2' ' HD2' ' A' ' 109' ' ' LYS . 0.7 OUTLIER -65.01 -36.81 85.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.837 0.351 . . . . 0.0 110.735 -176.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -41.18 86.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.237 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -68.43 -31.96 71.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.099 0.476 . . . . 0.0 110.26 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.448 ' HA ' ' NE ' ' A' ' 117' ' ' ARG . 3.6 mp -74.6 -36.84 63.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.858 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -36.42 42.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.932 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -75.47 151.57 38.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.107 0.48 . . . . 0.0 111.452 -175.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.94 104.58 6.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.578 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -64.12 136.16 57.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.199 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.3 tp -104.35 132.5 50.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.348 0.594 . . . . 0.0 109.968 175.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.434 HG13 HD21 ' A' ' 50' ' ' LEU . 33.3 m -126.92 156.16 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.877 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -118.98 -52.19 2.32 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.64 159.02 26.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.598 -172.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.86 HG13 ' HA ' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -52.88 -37.44 25.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.945 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -43.38 84.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.715 0.293 . . . . 0.0 111.479 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.71 -34.35 67.06 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.265 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.701 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -65.61 -38.42 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.616 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.32 -35.97 76.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.944 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.41 -37.29 62.75 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.644 ' HB3' HD21 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -55.63 -45.46 77.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.029 -0.585 . . . . 0.0 110.624 174.371 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.701 HG12 ' O ' ' A' ' 47' ' ' ILE . 1.4 mm -68.81 -41.03 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.627 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.6 m -59.76 -45.01 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.28 69.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.797 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' A' ' 57' ' ' PHE . 1.9 t60 -75.85 -32.74 59.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.543 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.29 -41.35 61.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.393 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -64.94 -30.17 71.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.402 0.62 . . . . 0.0 109.617 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 31.9 t80 -61.52 -38.1 86.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.572 174.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.614 ' HE3' HD13 ' A' ' 61' ' ' LEU . 4.8 mmmm -70.68 -12.67 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.292 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.434 ' O ' ' HD2' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -96.71 -31.83 12.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.214 0.53 . . . . 0.0 110.073 177.56 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -76.86 -24.66 52.63 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.334 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.614 HD13 ' HE3' ' A' ' 58' ' ' LYS . 1.0 OUTLIER -56.4 -55.55 41.21 Favored Pre-proline 0 C--O 1.222 -0.37 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.811 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 52.3 Cg_exo -56.77 -35.94 98.26 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.055 1.836 . . . . 0.0 112.539 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -70.24 -46.37 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.123 0.487 . . . . 0.0 110.801 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.477 ' HB2' ' CZ3' ' A' ' 107' ' ' TRP . . . -71.32 -30.21 65.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.641 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.468 ' O ' ' HD2' ' A' ' 68' ' ' ARG . 2.9 t70 -61.03 -46.18 91.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.958 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -41.26 94.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.492 177.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' CD ' HH21 ' A' ' 20' ' ' ARG . 42.0 mm-40 -60.53 -41.79 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.852 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.468 ' HD2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -57.89 -41.09 81.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.99 -179.057 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -39.82 61.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.891 0.377 . . . . 0.0 110.605 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.34 -15.01 63.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.247 0.546 . . . . 0.0 111.047 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.525 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -91.28 -36.24 7.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -68.0 -28.25 67.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.402 173.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.72 85.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.769 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 71' ' ' ILE . 18.5 mt -65.67 -42.58 92.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.445 0.641 . . . . 0.0 110.309 177.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -71.85 -15.92 62.14 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.913 -179.036 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -40.52 71.72 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -74.74 -37.71 62.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.191 0.52 . . . . 0.0 109.608 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.51 -5.78 55.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.404 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -104.27 -41.32 5.82 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.217 175.355 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 ptt85 -61.06 -22.98 65.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.309 . . . . 0.0 111.05 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.435 HG23 HG23 ' A' ' 10' ' ' ILE . 1.5 pp -63.89 -45.07 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.019 0.438 . . . . 0.0 110.084 175.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.44 -19.95 44.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.225 0.536 . . . . 0.0 110.5 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.265 175.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.761 ' CD2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.453 0 CA-C-O 121.486 0.66 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.598 HG22 ' HB3' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -86.61 75.06 9.75 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.87 -177.398 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.54 51.37 2.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.073 0.939 . . . . 0.0 110.787 174.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.422 HG21 HG21 ' A' ' 96' ' ' THR . 0.0 OUTLIER -135.6 96.35 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 114.145 -1.389 . . . . 0.0 110.055 -178.39 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.478 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -75.7 154.56 85.36 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.543 -178.143 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.478 ' HD2' HG22 ' A' ' 99' ' ' THR . 9.2 Cg_endo -52.36 -40.67 70.16 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.99 2.46 . . . . 0.0 112.802 -178.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -68.21 -42.13 80.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.976 0.417 . . . . 0.0 110.08 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.652 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -57.77 -34.75 48.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.047 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.565 HG21 ' N ' ' A' ' 104' ' ' ASN . 0.4 OUTLIER -89.4 -31.66 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.425 -179.445 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.565 ' N ' HG21 ' A' ' 103' ' ' ILE . 2.0 t-20 -75.65 -51.94 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.608 0.242 . . . . 0.0 111.246 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 m -67.21 -31.15 71.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.884 0.373 . . . . 0.0 110.593 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.652 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -63.94 -43.35 96.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 174.774 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 64' ' ' ALA . 62.7 t-105 -62.51 -40.94 98.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.613 177.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -39.56 90.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.074 0.464 . . . . 0.0 110.456 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.569 ' HD2' ' HE2' ' A' ' 32' ' ' MET . 5.2 ttmt -66.35 -40.91 90.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.401 176.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.43 HG22 ' HG3' ' A' ' 32' ' ' MET . 54.6 t -57.03 -46.25 84.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 110.438 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -59.28 -45.13 92.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.453 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.5 pt20 -74.92 -20.05 59.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.263 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.7 mt -84.64 -14.53 48.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.603 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.493 HG13 ' HD3' ' A' ' 58' ' ' LYS . 37.9 t -62.22 -58.5 17.16 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.486 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.84 -26.21 44.91 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.129 1.886 . . . . 0.0 112.06 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.515 ' HA ' ' HD3' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -68.9 -51.76 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.22 178.238 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.522 ' HG3' HD13 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -65.33 -33.04 75.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.941 176.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.13 -31.91 73.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.057 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.38 -45.77 52.9 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.103 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.38 71.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' ' 50' ' ' LEU . 21.3 mt -67.74 -48.95 64.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.807 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 1.023 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -66.35 -30.04 70.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.728 -179.24 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -46.5 87.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.593 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -79.54 -38.61 33.81 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.355 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 1.023 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -63.37 -27.7 69.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.587 0.232 . . . . 0.0 111.466 -178.497 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.7 m -78.83 -7.82 58.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.384 0.611 . . . . 0.0 110.587 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -111.43 -5.41 14.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.686 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -131.6 85.91 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.193 -175.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.86 ' HA ' HG13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.21 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.111 176.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.475 ' HA ' ' HB2' ' A' ' 11' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.573 0.225 . . . . 0.0 111.16 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.0 86.73 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.613 0.721 . . . . 0.0 109.316 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' A' ' 78' ' ' ALA . 1.1 pt -89.24 -7.37 10.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.801 178.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.475 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -77.05 -32.4 56.89 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.432 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.499 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 71.1 mm-40 -69.22 -21.32 63.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.873 171.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.5 mt -79.35 -39.27 33.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.3 m170 -59.65 -30.36 68.69 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.636 HD23 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -61.44 -52.39 64.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.687 177.225 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -28.27 67.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.409 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.436 ' HE2' ' CB ' ' A' ' 75' ' ' HIS . 1.7 t80 -67.67 -45.46 75.15 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.3 -14.18 61.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.476 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 -8.3 24.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.545 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -118.3 -41.7 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.374 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.34 -11.89 60.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.724 0.297 . . . . 0.0 110.631 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.63 -58.1 2.37 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.961 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -66.08 -29.11 48.59 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.504 1.47 . . . . 0.0 111.106 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.476 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.6 t80 -67.85 -41.7 82.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.407 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.692 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.4 t-20 -68.99 -31.33 70.1 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -68.85 -37.37 79.07 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.111 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -69.35 -46.9 65.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.776 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.674 ' HB3' ' HE3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -55.28 -29.82 58.92 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.009 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.692 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 4.8 mm-40 -72.72 -64.1 1.03 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.598 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -39.93 93.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.831 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.73 -53.89 10.43 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.479 ' HE3' ' HB2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -63.98 -39.65 94.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.13 -175.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -37.65 85.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.338 -178.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.45 -35.71 70.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 109.958 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -40.85 88.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.029 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.406 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -85.54 -15.34 43.02 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.355 -178.426 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.6 150.11 34.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.937 0.398 . . . . 0.0 110.956 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.482 ' HE3' ' HB2' ' A' ' 38' ' ' MET . 1.5 mtm -87.62 105.6 17.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.765 177.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -64.75 141.09 58.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.802 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.2 tp -120.66 134.75 63.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.668 172.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.596 HG23 HG12 ' A' ' 47' ' ' ILE . 17.2 m -124.68 155.94 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.926 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -115.83 -53.29 2.58 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.252 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.3 p -102.21 166.06 10.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.9 ' HB ' ' HA ' ' A' ' 129' ' ' GLN . 0.6 OUTLIER -67.82 -21.31 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.267 0.556 . . . . 0.0 109.92 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.15 -50.66 69.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.965 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.25 -31.75 73.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.0 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.596 HG12 HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -65.73 -34.02 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.255 -179.75 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -80.57 -31.4 36.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.05 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.64 -41.27 75.83 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -44.77 87.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.327 0.584 . . . . 0.0 110.531 176.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.415 HG12 ' HB3' ' A' ' 121' ' ' LEU . 70.1 mt -73.89 -35.28 42.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.336 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -60.06 -41.08 91.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.971 0.415 . . . . 0.0 110.017 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.15 -33.08 74.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.82 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.405 ' O ' ' HB3' ' A' ' 57' ' ' PHE . 1.1 t60 -71.78 -38.25 70.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.603 178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.74 -51.33 62.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.538 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -63.52 -25.51 68.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.408 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.405 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 34.8 t80 -60.81 -36.79 79.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.226 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.528 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -72.15 -11.5 60.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.012 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.29 -30.72 13.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.295 0.569 . . . . 0.0 110.253 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.29 -25.16 54.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.959 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.528 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.5 mt -57.35 -56.13 37.12 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.143 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 18.2 Cg_endo -59.08 -31.0 94.75 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.909 1.74 . . . . 0.0 112.582 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -72.53 -48.65 38.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.3 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.4 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . . . -72.39 -29.1 63.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.17 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.453 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 16.2 t0 -64.15 -47.04 81.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.146 0.498 . . . . 0.0 110.24 177.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -33.08 75.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.09 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -63.44 -45.07 92.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.509 176.596 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.476 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -61.19 -42.64 98.94 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.931 0.396 . . . . 0.0 110.41 178.735 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -65.42 -37.74 87.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.416 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . . . -73.55 -20.12 60.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -84.65 -37.42 12.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 72' ' ' LEU . 9.8 mt -67.88 -28.73 67.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.062 172.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 70' ' ' ALA . . . -68.53 -36.88 79.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.42 176.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.4 mt -67.76 -43.79 86.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.995 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.436 ' CB ' ' HE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -74.31 -13.17 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.287 -177.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 11.6 mttt -58.73 -49.32 78.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.704 0.288 . . . . 0.0 110.879 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -80.68 -29.44 36.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.417 0.627 . . . . 0.0 109.743 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.49 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -75.58 -21.02 58.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.444 -177.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -32.73 11.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.709 0.29 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -62.42 -31.38 72.06 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -173.461 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pp -66.46 -33.41 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.229 0.537 . . . . 0.0 110.236 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.02 -25.67 29.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.692 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.338 176.391 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.636 ' CE2' HD23 ' A' ' 15' ' ' LEU . 10.6 m-85 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.735 0.302 . . . . 0.0 111.395 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.6 t -128.81 142.08 51.09 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.018 -175.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.2 m -108.46 67.54 0.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.39 0.614 . . . . 0.0 111.2 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.89 109.48 12.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.603 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.35 158.4 71.73 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.249 177.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.04 -37.1 96.73 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.608 2.206 . . . . 0.0 111.748 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.53 -38.82 74.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.504 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -40.91 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -84.4 -36.51 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -177.032 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.45 ' N ' HG23 ' A' ' 103' ' ' ILE . 3.2 t30 -76.04 -40.26 53.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.574 0.226 . . . . 0.0 111.521 -177.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 m -75.45 -29.86 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.988 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.674 ' HE3' ' HB3' ' A' ' 28' ' ' MET . 0.2 OUTLIER -66.11 -44.13 85.21 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.014 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.453 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 64.7 t-105 -57.83 -42.58 84.64 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.407 176.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.488 ' HB3' ' HE2' ' A' ' 109' ' ' LYS . 1.6 tm-20 -53.05 -42.89 66.22 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.533 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.488 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 3.0 mmtt -77.27 -33.96 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.737 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 106' ' ' LYS . 41.9 t -56.8 -47.85 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.629 177.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -59.53 -41.58 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.773 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.46 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 6.4 pt20 -82.09 -12.43 58.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.604 -174.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.4 mt -88.95 -15.81 33.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.978 0.418 . . . . 0.0 110.94 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.822 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 64.1 t -60.6 -59.24 14.48 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.297 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.822 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 31.7 Cg_exo -62.05 -35.63 75.12 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.535 2.157 . . . . 0.0 112.645 -178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -58.78 -50.65 73.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.114 0.483 . . . . 0.0 110.199 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.507 ' HG3' HD12 ' A' ' 121' ' ' LEU . 9.9 tpt180 -70.85 -30.98 67.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.593 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -35.77 80.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.545 0.688 . . . . 0.0 109.981 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -72.65 -44.33 62.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.186 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.83 87.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.799 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.507 HD12 ' HG3' ' A' ' 117' ' ' ARG . 16.8 mt -65.55 -51.69 58.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.414 -176.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.614 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -63.21 -38.25 90.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.106 -178.099 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -40.65 95.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.869 0.366 . . . . 0.0 110.538 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.33 -52.99 15.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.614 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -57.79 -27.0 62.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.761 -175.215 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.6 m -65.38 -33.7 76.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.788 0.328 . . . . 0.0 111.76 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.13 9.97 28.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.944 0.402 . . . . 0.0 110.093 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -132.25 24.46 4.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -174.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.9 ' HA ' ' HB ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.234 -0.888 . . . . 0.0 109.676 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.23 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.18 85.52 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.207 0.527 . . . . 0.0 109.901 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.763 HG22 HG22 ' A' ' 81' ' ' ILE . 1.2 pp -85.25 -13.74 11.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.579 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.9 t0 -75.19 -30.45 60.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.872 175.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -69.5 -30.22 68.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.641 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.513 HD12 ' HB1' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -93.52 -9.88 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 0.0 110.182 175.561 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -60.13 -28.95 68.31 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 171.609 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.643 HD12 ' CD2' ' A' ' 95' ' ' TYR . 0.7 OUTLIER -60.19 -39.93 88.24 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.925 177.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.79 -34.54 78.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.479 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 1.7 t80 -65.99 -45.73 80.56 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HA ' ' OG1' ' A' ' 96' ' ' THR . . . -71.77 -21.71 61.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.808 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.98 -23.27 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.098 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -105.17 -37.33 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.903 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 17' ' ' TYR . . . -68.91 -20.35 64.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.893 0.377 . . . . 0.0 110.176 177.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.34 -58.34 10.68 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.861 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.12 -33.31 25.43 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.456 1.437 . . . . 0.0 111.753 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.92 -41.77 97.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.721 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -72.06 -24.29 61.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.304 0.574 . . . . 0.0 110.099 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -72.39 -41.48 66.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.99 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -65.53 -47.06 77.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.104 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.604 ' HE2' ' HE3' ' A' ' 107' ' ' TRP . 1.8 mmt -54.77 -38.2 66.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.302 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -53.1 44.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.7 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -41.71 81.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.882 0.372 . . . . 0.0 111.114 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.02 -52.87 24.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.577 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.594 ' HE1' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -61.03 -36.72 80.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.727 0.299 . . . . 0.0 110.77 -177.136 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.91 -46.05 83.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.594 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -73.54 -31.11 63.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.398 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -29.97 65.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.349 -175.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.91 -11.99 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.876 0.37 . . . . 0.0 111.582 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.26 152.1 24.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.989 0.423 . . . . 0.0 111.654 -172.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.77 111.12 19.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.298 0.571 . . . . 0.0 110.447 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 121' ' ' LEU . 26.4 p90 -69.53 139.87 53.85 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.067 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 tp -106.88 133.29 51.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.282 0.563 . . . . 0.0 110.237 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.6 HG12 HD22 ' A' ' 50' ' ' LEU . 23.5 m -118.22 161.09 17.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.715 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -120.46 -50.5 2.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.023 0.439 . . . . 0.0 110.601 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.485 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.8 OUTLIER -113.0 168.69 9.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.996 179.471 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -43.77 90.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.09 0.471 . . . . 0.0 110.627 177.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.485 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 52.9 mp0 -58.33 -33.36 69.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.191 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.99 -36.09 79.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.577 HG13 ' HG3' ' A' ' 128' ' ' GLN . 0.2 OUTLIER -67.11 -34.82 72.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.787 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.33 -32.56 49.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.962 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.79 -30.94 65.36 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.6 HD22 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -62.29 -40.04 94.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.207 173.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.575 HG12 ' O ' ' A' ' 47' ' ' ILE . 6.8 mm -60.7 -41.82 89.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.076 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 m -60.74 -32.28 71.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.928 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.59 -7.37 43.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.202 0.525 . . . . 0.0 111.005 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.78 -42.04 5.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.65 -47.72 74.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.191 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -72.38 -21.43 61.29 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.132 0.491 . . . . 0.0 109.886 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -68.73 -37.79 79.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.91 -22.38 66.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.15 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -84.6 -29.0 26.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.076 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -19.35 47.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.035 0.445 . . . . 0.0 110.756 175.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.49 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.4 mt -57.69 -52.27 75.57 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.525 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 11.8 Cg_endo -55.77 -35.97 94.42 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.174 1.916 . . . . 0.0 112.883 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -77.61 -42.89 33.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.792 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.68 -33.9 73.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.975 0.417 . . . . 0.0 110.837 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.415 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 8.8 t70 -61.76 -38.23 87.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.317 0.58 . . . . 0.0 110.01 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.2 -45.93 91.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.364 176.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.85 -38.92 90.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.219 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.03 -41.35 92.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.694 0.283 . . . . 0.0 110.732 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -74.86 -37.36 62.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.699 0.285 . . . . 0.0 110.411 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.21 -21.28 64.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.701 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.619 ' HA ' HD13 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -85.4 -38.28 12.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.72 -31.26 72.16 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.234 173.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.6 99.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.407 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.619 HD13 ' HA ' ' A' ' 71' ' ' ILE . 23.6 mt -62.24 -44.05 98.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.576 177.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.705 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -70.34 -15.11 62.83 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.905 -178.159 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -42.98 98.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.473 ' HB3' HD11 ' A' ' 13' ' ' LEU . 8.1 tp10 -79.83 -35.0 38.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.55 176.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.58 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -82.15 4.34 23.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.902 -176.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -122.86 -24.44 4.81 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.203 176.129 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -60.77 -30.62 70.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.382 -175.354 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.763 HG22 HG22 ' A' ' 10' ' ' ILE . 2.0 pp -71.28 -27.14 28.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.388 0.613 . . . . 0.0 110.809 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.12 -30.56 43.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 62.5 mt-10 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.392 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.643 ' CD2' HD12 ' A' ' 15' ' ' LEU . 4.5 m-30 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.897 0.38 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.701 ' CG2' HG22 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -128.67 109.43 11.33 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.311 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.5 m -62.38 -34.64 77.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.926 -171.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.701 HG22 ' CG2' ' A' ' 96' ' ' THR . 2.7 m -45.08 136.85 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -175.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.56 ' OG1' HG12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -94.8 167.77 12.47 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.534 174.173 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.705 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 21.7 Cg_endo -59.46 -32.04 95.73 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.357 2.038 . . . . 0.0 111.582 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -74.74 -31.88 61.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.782 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.56 HG12 ' OG1' ' A' ' 99' ' ' THR . 2.0 mm -56.13 -52.04 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.557 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -80.54 -32.23 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.859 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -74.17 -46.38 42.56 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.154 -0.219 . . . . 0.0 111.309 -177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.2 m -70.37 -31.05 68.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.706 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.594 ' HG2' ' HE1' ' A' ' 32' ' ' MET . 1.1 mttm -64.36 -42.8 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.604 ' HE3' ' HE2' ' A' ' 28' ' ' MET . 64.1 t-105 -58.82 -43.08 90.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.239 176.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.86 -43.72 90.89 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 10.7 mmtt -65.22 -33.81 76.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.522 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.0 t -63.54 -45.68 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.527 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -61.76 -36.32 80.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.443 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 2.0 pp0? -84.66 -5.1 59.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.463 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.8 mt -93.71 -14.16 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.171 0.51 . . . . 0.0 110.362 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.49 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 79.1 t -58.12 -55.07 49.17 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.736 178.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 19.6 Cg_endo -58.73 -28.14 85.69 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.495 2.13 . . . . 0.0 113.262 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -67.08 -57.27 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.179 0.514 . . . . 0.0 110.264 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.539 ' HG3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -68.08 -24.25 65.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.591 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -41.04 91.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.303 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -78.28 -41.25 34.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.046 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.79 92.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.349 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.539 HD11 ' HG3' ' A' ' 117' ' ' ARG . 15.3 mt -67.56 -51.05 55.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.168 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -44.68 94.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.501 -177.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -40.19 95.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.875 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -42.23 67.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.423 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -25.45 64.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.766 0.317 . . . . 0.0 110.642 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.1 m -80.65 -13.85 58.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.992 0.425 . . . . 0.0 110.231 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -87.49 -2.06 58.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.997 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.577 ' HG3' HG13 ' A' ' 47' ' ' ILE . 8.2 mm-40 -103.58 -141.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.478 -179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.426 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 49.3 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.608 -175.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.551 0.215 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.57 -30.55 70.2 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.257 0.551 . . . . 0.0 110.439 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.411 HG23 HG12 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -99.66 -2.56 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.859 -179.031 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.493 ' O ' HD23 ' A' ' 15' ' ' LEU . 2.3 t0 -77.42 -32.63 54.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 172.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.47 -34.59 75.71 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 170.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' HA ' HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -66.19 -48.74 69.69 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.977 172.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -50.05 -38.07 36.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.974 175.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.677 HD11 ' CD2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -59.46 -48.45 81.6 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.509 177.382 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.08 -30.02 69.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 0.0 110.125 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 5.1 t80 -67.32 -51.83 47.72 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.451 ' O ' ' HB1' ' A' ' 22' ' ' ALA . . . -66.3 -25.44 66.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.467 -176.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -29.78 55.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.033 0.444 . . . . 0.0 111.004 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.513 ' HB3' HD13 ' A' ' 71' ' ' ILE . 1.8 mtp85 -97.52 -32.65 11.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -70.88 -16.82 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . . . -71.93 -57.42 3.99 Favored Pre-proline 0 CA--C 1.532 0.266 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.256 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HD3' ' HB2' ' A' ' 22' ' ' ALA . 19.6 Cg_exo -66.51 -30.61 43.23 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 121.906 1.737 . . . . 0.0 111.321 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.434 ' HE2' ' HB3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -66.64 -41.88 87.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.288 177.211 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.53 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.9 t-20 -74.4 -21.73 59.5 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.165 0.507 . . . . 0.0 110.284 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.69 -40.99 63.22 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -66.64 -50.75 61.96 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.192 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.503 ' HE1' ' HE3' ' A' ' 107' ' ' TRP . 8.8 mmt -50.87 -50.88 56.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.855 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.28 -44.5 83.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.955 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -71.58 -36.46 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.902 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.466 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . -73.29 -45.06 57.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.82 0.343 . . . . 0.0 111.241 -178.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.436 ' SD ' ' HD3' ' A' ' 106' ' ' LYS . 3.6 ttt -64.45 -33.49 76.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.132 0.491 . . . . 0.0 110.246 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.44 -46.64 47.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.984 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.85 -42.09 97.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mp -74.61 -21.33 59.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.399 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.444 HE21 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -90.67 -32.56 16.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.167 0.508 . . . . 0.0 110.821 179.356 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.22 131.72 49.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.073 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.9 mmt -77.86 100.81 6.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.632 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -61.46 133.4 55.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.16 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 40' ' ' ILE . 7.7 tp -108.39 133.74 52.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.137 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.504 HG12 HD22 ' A' ' 50' ' ' LEU . 19.0 m -126.73 156.75 37.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -123.81 -51.19 1.82 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.605 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -111.94 174.34 5.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.95 -176.853 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.493 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -74.4 -26.57 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.456 -178.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.605 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 2.2 mp0 -58.51 -47.77 83.03 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.226 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -74.08 -29.66 61.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.303 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.606 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -66.11 -39.12 83.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' N ' HG23 ' A' ' 47' ' ' ILE . 13.1 mt-10 -68.09 -40.69 82.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.199 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.67 -31.58 65.02 Favored Glycine 0 CA--C 1.509 -0.302 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.504 HD22 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -58.32 -43.31 88.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.861 -0.67 . . . . 0.0 110.397 173.594 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.606 HG12 ' O ' ' A' ' 47' ' ' ILE . 5.5 mm -64.74 -45.23 95.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.155 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -32.74 71.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.758 0.313 . . . . 0.0 111.188 -178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.34 -31.72 73.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.115 0.483 . . . . 0.0 110.916 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -85.13 -30.18 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.284 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.22 -51.3 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.691 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -69.64 -20.49 63.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.466 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 35.5 t80 -66.18 -38.53 88.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.877 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.64 ' HE3' HD11 ' A' ' 61' ' ' LEU . 9.9 mmmm -69.15 -14.5 63.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.078 176.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m -94.14 -27.69 16.09 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.615 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -22.66 38.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.613 176.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.64 HD11 ' HE3' ' A' ' 58' ' ' LYS . 1.6 mt -55.4 -59.29 11.53 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.979 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.58 -29.65 90.41 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.04 1.827 . . . . 0.0 112.494 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -71.36 -52.75 16.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.294 0.568 . . . . 0.0 110.151 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 68' ' ' ARG . . . -71.72 -32.65 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.391 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 26.6 t70 -62.27 -39.22 92.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.149 0.5 . . . . 0.0 110.753 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -72.34 -37.99 68.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.107 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -37.42 85.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.246 -175.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -62.88 -37.51 87.21 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.315 179.286 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.12 -35.44 64.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.88 0.372 . . . . 0.0 110.445 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.26 -22.9 61.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.561 . . . . 0.0 110.712 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -83.18 -36.84 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -25.06 66.58 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.497 171.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -71.54 -45.3 62.73 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.892 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.6 mt -63.53 -39.14 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.769 0.795 . . . . 0.0 109.52 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 1.7 t60 -72.81 -14.59 61.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.108 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -65.36 -45.49 83.96 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.212 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -79.19 -32.46 44.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.166 0.508 . . . . 0.0 110.131 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.11 1.69 42.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.821 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.11 -40.5 2.5 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -26.11 68.46 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.168 -174.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.411 HG12 HG23 ' A' ' 10' ' ' ILE . 1.9 pp -62.51 -42.84 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 121.178 0.513 . . . . 0.0 109.861 175.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.29 -39.88 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.175 -176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.753 0.311 . . . . 0.0 111.273 -178.112 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.677 ' CD2' HD11 ' A' ' 15' ' ' LEU . 2.8 m-85 . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 121.084 0.469 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.691 HG22 HG12 ' A' ' 98' ' ' VAL . 0.8 OUTLIER -122.96 115.21 21.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.6 0.715 . . . . 0.0 110.121 -177.036 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.1 m -80.18 -29.64 38.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.171 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.691 HG12 HG22 ' A' ' 96' ' ' THR . 0.5 OUTLIER -48.44 128.45 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.87 177.088 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.438 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -104.78 163.38 17.32 Favored Pre-proline 0 N--CA 1.446 -0.671 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.333 -179.264 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.438 ' HD2' HG22 ' A' ' 99' ' ' THR . 11.1 Cg_endo -54.8 -39.55 89.25 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.879 2.386 . . . . 0.0 111.997 178.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -68.18 -40.94 82.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.191 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -56.6 -34.9 43.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 104' ' ' ASN . 0.2 OUTLIER -91.4 -36.28 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -176.725 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.5 ' N ' HG22 ' A' ' 103' ' ' ILE . 0.9 OUTLIER -79.59 -41.52 26.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.568 0.223 . . . . 0.0 111.407 -176.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.6 m -69.97 -33.45 72.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.688 0.28 . . . . 0.0 110.454 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.481 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -65.59 -43.42 89.74 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.218 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.503 ' HE3' ' HE1' ' A' ' 28' ' ' MET . 65.4 t-105 -56.0 -45.92 78.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.107 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -34.2 71.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.475 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.3 mttm -80.72 -36.74 31.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.643 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.68 -44.1 99.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.532 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 3.9 mm100 -57.81 -47.7 81.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.742 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 1.4 pt20 -71.63 -14.33 62.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.328 -177.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.3 mt -84.41 -19.28 33.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.029 0.442 . . . . 0.0 110.295 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.702 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 87.7 t -61.38 -54.81 49.32 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.989 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.702 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 38.5 Cg_exo -61.74 -36.97 71.37 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.278 1.985 . . . . 0.0 112.204 178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.473 ' HE2' ' O ' ' A' ' 112' ' ' GLN . 12.7 mttm -58.67 -50.6 73.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.341 0.591 . . . . 0.0 110.189 177.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.503 ' HG3' HD11 ' A' ' 121' ' ' LEU . 1.6 tpt180 -68.21 -34.26 75.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.597 178.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -63.94 -32.42 73.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.994 0.426 . . . . 0.0 110.549 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -86.74 -41.54 14.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.238 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.11 90.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.423 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.503 HD11 ' HG3' ' A' ' 117' ' ' ARG . 31.0 mt -62.8 -50.58 70.44 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.446 178.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.465 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -58.38 -44.48 88.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.16 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.12 -46.49 89.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.602 0.239 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -41.85 70.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.777 -177.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.465 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -69.05 -23.38 64.04 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.842 -178.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.6 m -86.81 -12.18 48.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 110.745 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -19.86 52.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 0.0 109.752 175.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -92.52 -145.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.974 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.36 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.222 0 CA-C-O 121.157 0.504 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.06 -41.28 64.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.683 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.509 HG22 HG21 ' A' ' 81' ' ' ILE . 1.8 pp -77.25 -16.59 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.294 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.535 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 20.5 t70 -80.39 -24.72 39.52 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.106 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -82.01 -13.93 56.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.359 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.489 HD21 ' HA ' ' A' ' 10' ' ' ILE . 1.4 pp -102.56 -2.54 28.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 168.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -64.49 -36.22 83.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.473 175.044 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.709 HD11 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -80.08 -17.62 52.17 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.412 -179.416 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -43.01 91.14 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.394 172.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.566 ' CD1' HG21 ' A' ' 96' ' ' THR . 2.7 t80 -57.95 -49.44 76.78 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 171.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.781 ' HB3' ' HB ' ' A' ' 96' ' ' THR . . . -61.25 -30.13 70.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.907 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.39 -29.0 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.689 0.28 . . . . 0.0 111.119 -176.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 -95.82 -37.28 10.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.041 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -19.05 63.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.246 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.24 -59.58 4.93 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.392 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.47 -25.23 30.16 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.226 1.284 . . . . 0.0 111.261 178.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.692 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.9 t80 -69.21 -41.2 77.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.347 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -68.68 -33.08 73.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.174 0.511 . . . . 0.0 110.062 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.06 -36.21 72.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.386 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -69.36 -49.17 58.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.063 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.648 ' HE2' HG13 ' A' ' 103' ' ' ILE . 17.0 mtm -60.14 -43.04 96.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.364 -176.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.47 -42.49 92.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.637 0.256 . . . . 0.0 110.579 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.5 m -66.81 -41.3 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.345 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 35' ' ' LEU . . . -65.12 -46.86 79.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.579 ' HE2' ' HG3' ' A' ' 106' ' ' LYS . 19.2 ttm -59.95 -35.41 74.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.803 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.54 -48.65 25.69 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.641 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.39 -31.79 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 -175.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.682 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 3.8 mp -77.04 -28.62 54.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.961 -178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -78.68 -39.26 37.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.056 -179.306 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -78.14 154.33 31.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.655 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.45 168.49 19.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.506 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -124.87 124.24 41.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.14 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -86.63 130.64 36.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.157 0.503 . . . . 0.0 109.701 175.075 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.449 HG11 HD23 ' A' ' 50' ' ' LEU . 28.7 m -126.45 149.19 31.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.394 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -111.65 -46.99 3.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.215 0.531 . . . . 0.0 110.169 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.522 ' HB ' ' HG3' ' A' ' 45' ' ' GLU . 1.2 p -134.33 170.33 15.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.682 -174.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.493 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.91 -33.72 53.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.953 0.406 . . . . 0.0 110.615 178.379 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.522 ' HG3' ' HB ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -50.59 -38.94 48.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.347 176.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.85 -32.69 27.35 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 120.908 0.385 . . . . 0.0 110.563 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.721 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -62.34 -41.91 93.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.171 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.04 -28.64 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.112 0.482 . . . . 0.0 110.094 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.17 -38.2 54.63 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.449 HD23 HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -58.25 -46.19 86.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.693 -0.754 . . . . 0.0 110.955 174.65 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.721 HG12 ' O ' ' A' ' 47' ' ' ILE . 4.2 mm -64.37 -40.62 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.362 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.5 m -58.26 -35.52 71.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.981 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . -65.24 -19.11 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.005 0.431 . . . . 0.0 111.14 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.75 -29.82 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -64.86 -50.66 65.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.401 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.81 -24.64 64.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.878 177.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 31.9 t80 -69.95 -44.72 68.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.262 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.594 ' HE3' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.16 -20.06 62.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.569 175.013 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -92.76 -28.25 16.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.161 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -21.52 27.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.801 0.334 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.594 HD13 ' HE3' ' A' ' 58' ' ' LYS . 1.8 mt -54.34 -55.73 34.08 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.682 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.488 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 33.8 Cg_exo -58.27 -28.87 85.98 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.054 1.836 . . . . 0.0 112.433 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.54 -53.77 9.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.282 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.6 -29.92 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.103 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.486 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 30.4 t70 -63.03 -47.89 81.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.765 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -27.1 63.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.438 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.11 -41.28 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.692 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -63.12 -38.79 92.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.043 0.449 . . . . 0.0 110.181 177.29 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -42.28 94.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.935 175.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.71 -16.3 63.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.9 -39.04 14.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.502 ' HA ' HD22 ' A' ' 72' ' ' LEU . 34.1 mt -68.53 -27.06 65.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.286 173.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.41 -33.94 77.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.525 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.8 mt -71.85 -41.81 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.006 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.466 ' HD2' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -72.78 -14.75 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.432 -177.772 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -40.23 90.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.567 0.222 . . . . 0.0 110.627 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.415 ' HA ' ' HG2' ' A' ' 80' ' ' ARG . 61.2 mm-40 -81.04 -33.84 33.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 110.447 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.49 -6.14 59.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.845 -174.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.61 -37.17 5.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.211 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 12.8 ptt85 -60.21 -35.22 74.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.912 -178.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.509 HG21 HG22 ' A' ' 10' ' ' ILE . 2.2 pp -63.41 -35.48 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.295 0.569 . . . . 0.0 110.14 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.72 49.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.66 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.81 -179.684 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.709 ' CE2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.954 0.407 . . . . 0.0 110.232 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.781 ' HB ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -119.59 134.83 55.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.399 -176.379 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 m -103.68 -27.53 12.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.461 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.44 ' H ' HG22 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -43.83 105.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 114.456 -1.247 . . . . 0.0 112.878 -179.642 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.515 ' CG2' ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -82.89 161.15 59.12 Favored Pre-proline 0 N--CA 1.448 -0.543 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.925 177.443 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 99' ' ' THR . 10.2 Cg_endo -51.43 -42.29 55.8 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.844 2.363 . . . . 0.0 112.535 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -69.4 -34.26 74.23 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.511 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.1 -44.74 84.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.648 HG13 ' HE2' ' A' ' 28' ' ' MET . 0.3 OUTLIER -75.49 -32.5 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.11 -178.553 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.5 ' N ' HG22 ' A' ' 103' ' ' ILE . 10.5 t-20 -72.25 -49.9 31.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.393 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.1 m -58.12 -34.91 70.73 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.983 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.59 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -63.68 -48.57 76.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.349 177.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.486 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 71.9 t-105 -59.82 -41.84 92.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.568 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -38.24 85.73 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.38 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -41.02 91.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.718 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.07 -43.26 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.619 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -59.84 -45.85 91.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.797 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.0 -1.34 28.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.286 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.682 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 9.2 mt -100.52 -14.74 18.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.988 0.423 . . . . 0.0 110.349 176.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.789 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 98.6 t -60.71 -58.31 20.19 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.607 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.789 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 24.8 Cg_exo -64.29 -36.2 47.1 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.324 2.016 . . . . 0.0 112.28 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -47.95 83.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.127 0.489 . . . . 0.0 110.426 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.47 ' HG3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -72.17 -31.27 65.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.046 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -67.36 -32.27 73.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.156 0.503 . . . . 0.0 109.807 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.475 ' O ' ' HG2' ' A' ' 123' ' ' GLU . 5.1 t-160 -68.45 -50.13 54.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.268 -178.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 124' ' ' GLU . . . -61.02 -36.67 80.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.702 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 51' ' ' ILE . 23.6 mt -68.29 -47.8 66.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.242 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.571 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 14.8 mt -66.37 -41.95 88.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.866 -175.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 119' ' ' HIS . 18.0 pt-20 -74.54 -23.13 58.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.731 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -78.75 -44.46 23.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.664 0.269 . . . . 0.0 110.331 176.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.571 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.4 OUTLIER -67.23 -24.95 65.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.646 179.211 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 64.6 m -80.1 -21.47 43.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -5.9 58.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.482 0.658 . . . . 0.0 109.963 175.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.612 ' HG3' HG13 ' A' ' 47' ' ' ILE . 19.0 mm-40 -100.78 -152.74 0.43 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.683 175.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.045 -0.979 . . . . 0.0 109.577 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.235 0.308 0 CA-C-O 120.999 0.428 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.69 -41.01 75.99 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.188 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.555 ' HA ' HD23 ' A' ' 13' ' ' LEU . 1.5 pp -76.23 -16.55 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.968 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.1 t0 -75.42 -25.11 57.26 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -72.86 -39.07 66.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.235 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' ' 78' ' ' ALA . 1.0 OUTLIER -83.18 -6.51 59.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.009 0.433 . . . . 0.0 110.167 175.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.547 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -63.77 -25.68 68.29 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 172.148 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.615 HD12 ' CD2' ' A' ' 95' ' ' TYR . 0.9 OUTLIER -65.24 -32.27 73.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -65.06 -34.47 78.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.933 0.397 . . . . 0.0 110.395 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -64.7 -48.14 75.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' ALA . . . -70.46 -17.58 62.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.785 -178.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 -27.69 17.68 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -102.53 -33.94 9.3 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.882 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.83 -16.98 60.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.725 0.297 . . . . 0.0 110.214 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 18' ' ' ALA . . . -66.65 -58.78 9.2 Favored Pre-proline 0 CA--C 1.53 0.21 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.8 -27.65 51.71 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.515 1.477 . . . . 0.0 111.48 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.22 -44.84 86.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.176 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -75.11 -21.2 59.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.48 0.657 . . . . 0.0 110.156 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -71.32 -44.34 65.31 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -63.24 -48.21 79.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.988 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mtt -49.57 -54.27 19.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.603 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -66.35 -47.09 74.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.66 -175.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 m -66.74 -26.79 67.16 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.362 -176.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.8 -49.6 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.633 0.254 . . . . 0.0 111.62 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.555 ' HG3' HG23 ' A' ' 110' ' ' VAL . 0.9 OUTLIER -61.85 -35.4 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.181 -176.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -73.7 -34.18 64.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.315 -178.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.82 -38.96 83.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.316 0.579 . . . . 0.0 109.516 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.473 HD23 ' HB3' ' A' ' 113' ' ' LEU . 4.3 mp -71.14 -32.47 69.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.69 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -36.88 55.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.158 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -70.61 167.23 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.248 -178.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.48 137.41 35.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.218 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -101.18 130.07 47.21 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.267 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.504 ' O ' HG21 ' A' ' 40' ' ' ILE . 2.1 tp -99.88 129.0 51.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.935 176.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.447 ' CG1' HD21 ' A' ' 50' ' ' LEU . 34.9 m -126.67 137.98 56.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.238 0.542 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -117.73 -41.11 2.95 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.064 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.453 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 10.7 p -122.66 164.87 17.45 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.556 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.502 HG21 ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -66.79 -30.37 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.377 179.147 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' OE2' HG21 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -48.82 -47.65 42.16 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.746 176.658 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.57 -33.63 66.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.626 0.25 . . . . 0.0 110.691 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.42 -35.2 74.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.327 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.88 -33.55 74.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.172 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.14 -46.33 5.63 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.696 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.447 HD21 ' CG1' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -51.27 -46.06 62.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.049 0.54 . . . . 0.0 111.434 176.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.608 HG12 ' HB3' ' A' ' 121' ' ' LEU . 31.1 mt -74.05 -32.1 31.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.215 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.2 m -64.12 -24.1 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.049 0.452 . . . . 0.0 110.729 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.52 0.48 14.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.67 0.748 . . . . 0.0 110.678 175.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -114.45 -36.63 4.55 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 171.036 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -48.46 -59.47 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.659 173.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -87.92 2.28 51.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.417 ' HB2' ' HA ' ' A' ' 54' ' ' HIS . 7.4 t80 -74.54 -34.97 63.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.545 ' HE2' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -64.96 -20.28 66.4 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.772 174.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.97 -32.69 16.68 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.866 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.3 -28.69 57.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.012 0.434 . . . . 0.0 111.418 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.545 HD12 ' HE2' ' A' ' 58' ' ' LYS . 3.7 mt -60.3 -53.82 61.11 Favored Pre-proline 0 C--O 1.22 -0.465 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 13.2 Cg_endo -56.98 -36.17 99.16 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.996 1.797 . . . . 0.0 112.529 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -73.99 -47.48 36.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.177 -179.239 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.564 ' HB1' ' CZ3' ' A' ' 107' ' ' TRP . . . -67.61 -29.54 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -41.94 95.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.977 0.418 . . . . 0.0 110.186 176.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 64' ' ' ALA . 70.8 mm-40 -58.96 -45.24 91.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.282 176.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -26.6 68.41 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.769 0.319 . . . . 0.0 110.739 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.21 -40.53 19.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.953 0.406 . . . . 0.0 110.529 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.59 -20.4 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.108 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.96 -34.43 7.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.486 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -65.76 -29.41 69.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.01 171.609 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.26 88.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.7 mt -66.2 -41.36 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.397 0.618 . . . . 0.0 110.092 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.521 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -78.03 -5.8 52.53 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.143 -177.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 72' ' ' LEU . 3.5 mmmt -59.96 -55.68 31.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.25 -28.73 42.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.74 0.781 . . . . 0.0 109.516 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.591 ' HB3' HD11 ' A' ' 13' ' ' LEU . . . -82.59 -1.25 50.27 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.228 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -124.33 -44.74 1.99 Allowed 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 120.378 -0.529 . . . . 0.0 112.166 177.04 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.879 ' HA ' ' HG3' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -53.88 -29.22 40.72 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.6 pp -56.9 -42.97 79.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.473 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.61 -16.62 44.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.453 0.644 . . . . 0.0 110.419 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.879 ' HG3' ' HA ' ' A' ' 80' ' ' ARG . 1.4 mt-10 . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.541 175.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.615 ' CD2' HD12 ' A' ' 15' ' ' LEU . 11.5 m-85 . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 121.026 0.441 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.483 HG22 HG23 ' A' ' 98' ' ' VAL . 4.6 t -116.02 134.24 55.17 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.944 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.5 m -77.51 -25.86 50.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.502 -173.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.483 HG23 HG22 ' A' ' 96' ' ' THR . 15.1 m -54.06 112.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.399 0.619 . . . . 0.0 112.319 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.489 ' OG1' HD11 ' A' ' 102' ' ' ILE . 16.1 p -94.82 160.26 31.58 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.992 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 10.5 Cg_endo -54.19 -36.57 86.2 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.011 2.474 . . . . 0.0 112.312 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -75.84 -41.07 53.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.687 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.489 HD11 ' OG1' ' A' ' 99' ' ' THR . 1.2 mp -61.7 -40.59 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.317 . . . . 0.0 110.278 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 104' ' ' ASN . 0.4 OUTLIER -76.67 -31.87 20.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.403 -178.501 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.539 ' N ' HG22 ' A' ' 103' ' ' ILE . 1.4 t-20 -76.74 -50.17 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.063 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -60.38 -40.01 89.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.402 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 2.8 mmtt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.908 0.385 . . . . 0.0 110.329 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.564 ' CZ3' ' HB1' ' A' ' 64' ' ' ALA . 54.1 t-105 -59.44 -42.63 92.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.27 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -58.75 -35.55 72.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.319 0.58 . . . . 0.0 110.899 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.57 -39.79 62.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.317 179.424 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.555 HG23 ' HG3' ' A' ' 32' ' ' MET . 73.9 t -55.84 -45.01 79.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.598 174.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -61.4 -40.51 94.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.281 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 4.5 pt20 -72.98 -25.29 60.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.918 0.389 . . . . 0.0 111.245 -177.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.473 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.5 mt -75.92 -18.88 59.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.733 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.893 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 57.6 t -61.23 -61.51 7.79 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.016 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.893 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 29.2 Cg_exo -62.84 -26.6 74.75 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.438 2.092 . . . . 0.0 112.233 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.45 -56.14 14.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.472 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.494 ' HG3' HD11 ' A' ' 121' ' ' LEU . 0.9 OUTLIER -69.74 -30.57 68.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.466 179.177 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 114' ' ' VAL . 0.4 OUTLIER -57.38 -38.26 73.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.203 0.525 . . . . 0.0 110.457 177.691 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -76.68 -32.13 57.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.581 -175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.12 -40.41 71.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.196 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.608 ' HB3' HG12 ' A' ' 51' ' ' ILE . 16.2 mt -67.32 -45.42 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.787 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.408 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 1.7 mm? -72.91 -14.06 61.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.478 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -24.71 20.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.024 0.44 . . . . 0.0 110.371 175.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -88.65 -46.01 9.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.184 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.408 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -61.76 -26.8 68.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.51 -177.163 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -12.15 61.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.592 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -89.81 -4.28 57.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.144 0.497 . . . . 0.0 110.591 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -95.03 -133.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.454 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.609 -178.505 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.917 0.389 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.75 69.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.678 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.636 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.2 pp -83.23 -15.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.259 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 3.2 t0 -79.34 -27.11 42.05 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -71.67 -34.97 70.15 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.489 174.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.636 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 1.5 pp -88.06 -8.76 55.05 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.05 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.7 OUTLIER -61.3 -29.87 70.14 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 170.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.7 HD11 ' CD2' ' A' ' 95' ' ' TYR . 0.6 OUTLIER -64.08 -37.13 86.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.6 175.191 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.14 -34.51 77.77 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 120.964 0.412 . . . . 0.0 110.289 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.501 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 2.2 t80 -65.6 -48.49 72.14 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HA ' ' CG2' ' A' ' 96' ' ' THR . . . -69.39 -22.0 63.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.589 -178.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -38.08 56.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.613 0.244 . . . . 0.0 111.07 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.677 ' HB3' HD11 ' A' ' 71' ' ' ILE . 8.1 mtt85 -89.88 -36.2 15.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.597 -177.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -68.75 -17.79 64.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.931 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.454 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -69.0 -56.78 8.47 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.356 -177.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 20' ' ' ARG . 17.0 Cg_exo -66.39 -28.93 46.18 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.951 1.767 . . . . 0.0 111.47 176.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -42.01 86.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.337 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 2.1 t-20 -68.38 -31.31 70.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.569 0.699 . . . . 0.0 110.024 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.77 -22.75 53.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.233 -178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -87.64 -52.03 5.55 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.091 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.462 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -57.74 -46.01 85.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.857 -176.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -41.59 97.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.607 0.241 . . . . 0.0 111.407 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -77.45 -25.14 50.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.002 0.429 . . . . 0.0 110.846 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.49 -48.12 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.406 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.518 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -64.09 -29.84 70.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.837 -177.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -39.59 74.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.7 -40.36 95.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.371 0.605 . . . . 0.0 110.213 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.706 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 8.3 mp -74.72 -23.35 58.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.962 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -91.89 -32.52 15.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.961 -178.342 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -76.77 176.15 8.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.456 0.646 . . . . 0.0 111.931 -174.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.9 tpt -109.12 142.02 40.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.479 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.507 ' CE2' HD21 ' A' ' 121' ' ' LEU . 16.5 p90 -113.66 127.52 56.08 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.573 -176.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 40' ' ' ILE . 6.5 tp -105.52 120.83 56.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.856 0.836 . . . . 0.0 110.099 173.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.815 HG11 HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.61 96.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.695 -178.316 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -86.81 -32.58 20.24 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.91 143.97 39.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.191 -174.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -67.68 -35.83 74.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -176.626 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -34.23 59.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.588 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -79.78 -37.19 35.85 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.475 HD11 HG21 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -59.99 -36.79 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.831 0.348 . . . . 0.0 110.441 -177.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -81.96 6.83 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.313 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -123.48 -35.0 0.72 Allowed Glycine 0 N--CA 1.455 -0.086 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.815 HD11 HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -67.69 -49.1 64.45 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.437 1.095 . . . . 0.0 110.47 178.518 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.507 HG12 ' HB3' ' A' ' 121' ' ' LEU . 29.0 mt -63.39 -40.96 91.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -31.1 69.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.396 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.28 -25.7 66.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.074 0.464 . . . . 0.0 110.717 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.434 ' HE1' HD13 ' A' ' 35' ' ' LEU . 33.2 t60 -97.7 -13.69 21.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.36 177.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -78.77 -48.55 14.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.713 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.53 -13.32 58.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.257 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -59.89 -37.63 79.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.449 175.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -73.42 -13.59 61.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.62 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.01 -33.85 15.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.698 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.1 -22.81 41.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.145 176.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.8 -60.86 6.21 Favored Pre-proline 0 N--CA 1.467 0.387 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.16 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.01 -30.04 90.67 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.006 1.804 . . . . 0.0 112.515 -176.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.4 -50.37 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.347 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.27 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.519 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 1.8 t70 -61.3 -47.62 85.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.349 177.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -37.19 84.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.371 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.24 -35.9 80.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.545 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HD2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -57.06 -43.34 81.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 178.798 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -29.74 57.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.859 0.361 . . . . 0.0 110.481 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.96 -9.8 59.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.146 0.498 . . . . 0.0 110.814 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -94.2 -39.09 10.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.019 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -65.65 -30.91 71.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.942 -1.027 . . . . 0.0 109.454 174.614 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.38 87.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.926 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 71' ' ' ILE . 33.4 mt -65.58 -42.12 92.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.28 0.562 . . . . 0.0 110.409 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.694 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -73.19 -16.07 61.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.932 -178.277 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -48.31 82.12 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -78.1 -30.15 49.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.974 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.518 ' HB1' HD13 ' A' ' 13' ' ' LEU . . . -87.14 -0.37 56.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.443 -175.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -116.68 -42.99 2.93 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.732 177.574 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -56.57 -32.61 65.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.635 -176.173 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.46 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 2.3 pp -61.31 -34.35 60.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.979 0.419 . . . . 0.0 110.923 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.41 -30.53 33.54 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.941 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 61.9 mt-10 . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.358 -176.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.7 ' CD2' HD11 ' A' ' 15' ' ' LEU . 19.9 m-30 . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 121.002 0.43 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 96' ' ' THR . 11.9 t -122.95 127.76 49.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 m -84.26 71.25 10.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.362 0.601 . . . . 0.0 111.666 -174.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.517 HG21 ' CB ' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -134.99 82.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.849 178.287 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.449 ' CG2' ' HD2' ' A' ' 100' ' ' PRO . 0.2 OUTLIER -64.04 148.24 95.5 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.694 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 1.3 Cg_endo -44.38 -44.87 13.02 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.467 2.778 . . . . 0.0 112.521 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -63.29 -45.26 92.2 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.092 0.472 . . . . 0.0 110.65 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -61.25 -40.56 86.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.967 -177.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 104' ' ' ASN . 0.5 OUTLIER -82.83 -32.29 9.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.348 -179.071 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.553 ' N ' HG22 ' A' ' 103' ' ' ILE . 6.4 t-20 -73.03 -51.58 17.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.631 0.253 . . . . 0.0 110.438 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.2 m -66.18 -27.31 67.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.072 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -66.27 -47.0 75.12 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 174.168 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.454 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 57.0 t-105 -60.16 -42.27 94.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.985 175.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.4 -38.61 90.32 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.829 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -68.05 -39.72 82.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.972 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 25.5 t -57.99 -47.61 86.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.365 176.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.14 -33.71 67.66 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.145 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -20.57 40.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.77 0.319 . . . . 0.0 111.26 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.706 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 12.6 mt -89.26 -26.05 21.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.919 -177.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.739 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 21.6 t -55.55 -57.55 20.35 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.739 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 32.2 Cg_exo -59.75 -31.99 94.93 Favored 'Trans proline' 0 C--N 1.358 1.076 0 C-N-CA 122.712 2.275 . . . . 0.0 112.775 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -60.34 -51.35 69.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.214 0.53 . . . . 0.0 110.049 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.519 ' HG3' HD13 ' A' ' 121' ' ' LEU . 14.7 tpt180 -75.06 -33.7 61.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.768 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -34.08 75.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.8 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -83.01 -41.09 19.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.185 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.48 91.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.962 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.519 HD13 ' HG3' ' A' ' 117' ' ' ARG . 34.4 mt -67.79 -49.62 61.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.53 11.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.512 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -113.11 -40.38 3.95 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.33 -35.19 71.12 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.181 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -69.07 -30.7 69.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.269 178.358 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.483 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -76.66 -28.56 56.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.347 0.594 . . . . 0.0 110.286 177.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.24 6.97 27.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.21 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.468 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 1.3 mm-40 -95.6 -133.76 0.2 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.196 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.468 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.434 -178.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 11' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.739 0.304 . . . . 0.0 111.339 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.55 81.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.403 0.62 . . . . 0.0 109.637 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.621 HG23 HG12 ' A' ' 81' ' ' ILE . 1.1 pt -96.62 -3.2 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.57 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.497 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 2.6 t0 -76.72 -26.86 55.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.399 174.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.552 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 43.6 mm-40 -71.82 -21.07 61.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.693 172.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' A' ' 77' ' ' GLU . 80.9 mt -77.9 -41.86 35.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 170.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -57.95 -32.23 67.62 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.416 172.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.635 HD22 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -60.69 -49.32 77.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.253 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.09 -28.29 62.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.13 0.49 . . . . 0.0 110.164 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.524 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -69.04 -49.92 53.27 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.546 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.74 -15.35 61.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.141 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -40.72 37.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.678 176.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.72 ' HB3' HD13 ' A' ' 71' ' ' ILE . 2.8 mtt180 -88.85 -32.84 17.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.161 -178.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 17' ' ' TYR . . . -67.23 -21.23 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.921 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.91 -59.96 6.95 Favored Pre-proline 0 CA--C 1.536 0.42 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.988 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -71.51 -24.57 22.13 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.385 1.39 . . . . 0.0 111.747 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.582 ' O ' ' HG2' ' A' ' 28' ' ' MET . 1.6 t80 -65.92 -45.76 80.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.889 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.555 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 21.1 t30 -68.65 -27.27 65.85 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.267 0.556 . . . . 0.0 110.213 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -75.02 -37.3 61.82 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.697 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -65.86 -56.69 10.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.779 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 24' ' ' PHE . 7.8 ptp -65.52 -31.37 72.4 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.267 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.555 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -69.46 -32.4 71.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 111.049 -179.516 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -87.72 -42.63 12.49 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.596 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -48.41 39.45 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.2 ttm -66.34 -35.83 81.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.31 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 2.9 mt-10 -63.71 -37.01 85.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.465 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -69.61 -39.95 76.93 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.77 -36.74 79.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.796 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -88.44 -9.58 52.06 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.04 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -88.89 172.63 9.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.087 0.47 . . . . 0.0 110.859 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.74 106.05 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.288 0.566 . . . . 0.0 110.299 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -63.78 147.21 52.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.534 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 tp -118.31 134.04 63.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.737 173.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.2 m -126.04 163.69 27.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.891 0.377 . . . . 0.0 110.744 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -123.42 -44.93 2.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.433 0.635 . . . . 0.0 109.587 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -119.47 161.51 20.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.69 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.601 HG23 ' N ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -63.77 -30.95 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.771 -179.727 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.601 ' N ' HG23 ' A' ' 44' ' ' ILE . 1.9 mt-10 -56.33 -46.29 79.98 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.379 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.48 -33.62 69.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 0.0 110.302 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.812 HG23 ' HB2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -65.83 -34.61 71.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 -179.541 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 47' ' ' ILE . 3.6 mm-40 -81.87 -31.76 31.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.092 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.9 -32.9 78.29 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 176.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -60.79 -39.71 89.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.993 -0.604 . . . . 0.0 110.299 173.23 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 47' ' ' ILE . 4.8 mm -65.76 -45.96 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.307 175.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -58.59 -35.2 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.034 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . -64.43 -28.5 69.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.96 177.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -87.16 -32.68 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.19 176.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.88 -56.5 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.323 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -68.84 -18.27 64.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.558 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 40.7 t80 -64.16 -39.56 94.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.037 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 10.0 mmmm -70.32 -15.24 62.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.468 177.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -91.11 -29.97 16.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.818 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.63 -21.07 45.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.037 0.446 . . . . 0.0 110.703 175.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -57.25 -54.77 51.22 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.656 -176.081 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 9.5 Cg_endo -52.69 -37.54 75.44 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.429 2.086 . . . . 0.0 113.034 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -80.08 -45.91 17.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.643 0.259 . . . . 0.0 110.799 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.84 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . . . -65.33 -27.62 68.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.471 . . . . 0.0 110.681 178.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.88 -32.22 73.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.844 174.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -36.19 64.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.086 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.84 ' HG3' ' HA ' ' A' ' 64' ' ' ALA . 4.7 mm-40 -53.74 -54.98 30.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.454 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.512 ' HB3' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -58.14 -39.91 79.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.54 0.209 . . . . 0.0 111.354 -177.451 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -68.12 -44.62 75.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.079 0.466 . . . . 0.0 110.251 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.27 -2.19 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.3 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.72 HD13 ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -100.78 -39.32 6.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.777 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -33.25 74.78 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.774 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.06 74.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.646 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.9 mt -68.98 -40.91 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.586 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.66 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -69.9 -18.31 63.39 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.889 -177.691 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -61.21 -42.9 99.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.99 0.424 . . . . 0.0 110.702 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.643 ' HA ' ' HG2' ' A' ' 80' ' ' ARG . 6.5 tt0 -83.23 -29.97 28.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.631 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . . . -85.43 1.21 49.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.485 -178.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.443 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -114.83 -34.33 5.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.099 175.676 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.643 ' HG2' ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -57.56 -33.25 67.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.387 0.429 . . . . 0.0 111.111 -175.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.621 HG12 HG23 ' A' ' 10' ' ' ILE . 2.2 pp -63.35 -36.01 74.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 110.6 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.34 -22.71 35.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.197 0.522 . . . . 0.0 110.715 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 31.4 mm-40 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.91 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.635 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.517 -0.293 0 CA-C-O 121.342 0.591 . . . . 0.0 110.67 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.4 72.38 7.02 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.764 -172.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -88.89 48.52 1.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.193 0.997 . . . . 0.0 110.68 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.31 101.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.247 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.58 150.42 93.59 Favored Pre-proline 0 N--CA 1.448 -0.56 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.66 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 73.2 Cg_endo -74.04 18.6 0.45 Allowed 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.598 2.199 . . . . 0.0 113.193 -176.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.01 -53.63 1.63 Allowed 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -177.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.564 HD12 ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -50.17 -43.14 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.35 175.434 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.496 HG21 ' N ' ' A' ' 104' ' ' ASN . 1.2 tt -71.98 -33.6 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.162 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.496 ' N ' HG21 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -78.26 -42.86 29.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.451 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.4 m -59.76 -41.21 90.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.651 173.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.564 ' HE3' HD12 ' A' ' 102' ' ' ILE . 0.2 OUTLIER -63.91 -37.46 87.48 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.971 178.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.538 ' CZ3' ' HB3' ' A' ' 64' ' ' ALA . 60.8 t-105 -62.13 -42.55 99.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.279 175.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.86 -34.49 77.47 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.575 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -42.99 96.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.025 175.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 77.1 t -59.95 -45.8 94.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.219 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -56.57 -45.59 81.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.864 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -79.62 -17.1 54.57 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -174.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.52 -14.13 38.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.756 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 77.4 t -59.76 -57.13 29.09 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.42 178.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.756 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 32.2 Cg_exo -60.35 -34.75 93.17 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.599 2.199 . . . . 0.0 112.744 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -61.16 -54.35 45.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.111 0.482 . . . . 0.0 110.419 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.537 ' HG3' HD13 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -67.62 -28.84 68.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.544 178.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.93 -32.4 73.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -83.01 -40.66 19.67 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.22 87.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.415 0.447 . . . . 0.0 110.499 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.537 HD13 ' HG3' ' A' ' 117' ' ' ARG . 18.0 mt -63.89 -50.85 67.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.717 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.28 9.98 3.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.759 -176.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.802 ' HG3' ' HZ3' ' A' ' 127' ' ' LYS . 4.6 tp10 -109.1 -36.46 6.06 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.173 0.511 . . . . 0.0 109.778 173.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -33.64 16.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.655 -176.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.812 ' HB2' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.18 -29.03 67.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.12 0.486 . . . . 0.0 110.475 -178.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.474 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -81.21 -8.88 59.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.497 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.802 ' HZ3' ' HG3' ' A' ' 123' ' ' GLU . 4.5 mttt -93.31 -5.24 50.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.029 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.506 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 1.5 mm-40 -87.29 -135.15 0.08 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.304 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.506 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.966 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.634 0.254 . . . . 0.0 111.048 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.89 -34.84 76.08 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.304 0.573 . . . . 0.0 109.912 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.558 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -81.37 -15.57 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.558 -179.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 9.7 t70 -78.51 -24.13 45.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.527 171.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 10.6 mm-40 -73.5 -35.25 65.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.709 175.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.81 HD11 ' HB3' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -85.97 -10.63 54.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.012 174.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.7 OUTLIER -59.56 -34.0 72.13 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 169.036 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.749 HD11 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -63.2 -36.37 83.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.973 177.273 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.0 -34.16 77.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.396 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.405 ' CD1' HG22 ' A' ' 96' ' ' THR . 1.6 t80 -66.18 -44.19 84.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 175.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.531 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -77.05 -4.39 44.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.866 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.63 -17.91 14.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.04 0.448 . . . . 0.0 111.075 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.513 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -105.09 -41.57 5.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.664 179.21 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 98' ' ' VAL . . . -72.3 -13.32 61.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.796 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.44 -54.85 2.98 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.584 -176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -67.01 -29.02 41.1 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.61 1.54 . . . . 0.0 110.773 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.538 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.4 t80 -65.13 -44.98 86.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.408 177.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -70.74 -27.64 64.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.408 0.623 . . . . 0.0 109.787 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.63 -39.0 77.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.937 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -68.17 -50.07 56.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.315 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.538 ' HG3' ' O ' ' A' ' 24' ' ' PHE . 6.3 mtt -50.26 -45.54 54.34 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.682 0.614 . . . . 0.0 111.581 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -62.56 -56.7 15.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.697 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -63.37 -33.16 74.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.683 -175.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB3' ' HE1' ' A' ' 57' ' ' PHE . . . -73.12 -53.65 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 110.997 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.617 ' HE2' ' HB2' ' A' ' 109' ' ' LYS . 9.9 ttm -64.48 -31.9 73.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.144 -177.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.6 -38.63 80.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.53 -32.25 69.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.48 0.657 . . . . 0.0 110.007 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -77.18 -29.18 54.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.996 -177.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.39 -37.7 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.795 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -85.34 176.07 8.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.382 0.611 . . . . 0.0 111.81 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -101.43 160.35 14.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.444 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -119.43 123.77 44.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.758 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.4 tp -87.98 129.83 38.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.241 0.543 . . . . 0.0 110.304 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 m -126.74 160.14 35.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.43 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -119.4 -48.25 2.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.7 p -125.15 173.8 8.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.233 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.726 HG22 ' HB3' ' A' ' 128' ' ' GLN . 0.5 OUTLIER -69.21 -23.22 26.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.847 179.427 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.493 ' N ' HG13 ' A' ' 44' ' ' ILE . 13.3 mt-10 -60.36 -38.69 84.65 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.806 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.18 -18.74 33.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.512 ' HB ' ' HA ' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -63.67 -45.53 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.755 176.63 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -74.51 -25.53 59.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.332 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.08 -40.57 56.29 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -41.93 96.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.148 0.499 . . . . 0.0 110.311 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 47' ' ' ILE . 29.7 mt -67.33 -33.33 61.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.723 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.5 m -61.63 -29.18 69.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.681 175.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.62 -15.63 63.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.269 0.557 . . . . 0.0 110.831 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.47 ' O ' ' HB3' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -101.38 -13.08 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.484 174.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -84.36 -45.49 12.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.17 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -22.52 67.01 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.521 0.677 . . . . 0.0 109.483 172.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.47 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 67.7 t80 -62.38 -33.94 75.73 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.968 175.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HE3' HD12 ' A' ' 61' ' ' LEU . 8.3 mmmm -79.39 -6.62 57.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.547 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -94.05 -33.13 13.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.833 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -39.68 56.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 2.5 mt -47.21 -55.75 14.71 Favored Pre-proline 0 N--CA 1.47 0.531 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -175.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.4 Cg_endo -52.71 -38.48 77.06 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.474 2.116 . . . . 0.0 112.997 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.62 -28.93 17.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.884 0.374 . . . . 0.0 110.737 -176.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.479 ' HB1' ' CZ3' ' A' ' 107' ' ' TRP . . . -69.68 -37.48 76.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.219 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 4.9 t70 -64.32 -44.47 91.47 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 174.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -41.11 89.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.117 176.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -51.51 62.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.016 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -61.52 -35.86 78.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.727 0.298 . . . . 0.0 110.981 -178.743 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -71.81 -37.28 70.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 0.0 110.383 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.66 -14.26 59.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.9 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -87.8 -37.7 11.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.361 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -27.98 68.21 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.239 171.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.1 -40.43 82.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.777 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.3 mt -66.87 -43.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.335 0.588 . . . . 0.0 110.271 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -21.38 64.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.71 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -66.51 -36.08 81.83 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.497 0.665 . . . . 0.0 109.612 175.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.81 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -78.24 -26.52 47.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.088 178.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.6 ' HB1' HD12 ' A' ' 13' ' ' LEU . . . -102.04 -2.54 29.34 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -43.66 3.64 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.794 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.19 -21.41 65.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.152 -171.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.42 HG23 HG23 ' A' ' 10' ' ' ILE . 2.4 pp -66.16 -33.46 63.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.259 0.552 . . . . 0.0 110.066 176.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.57 -32.47 23.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.02 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.049 179.312 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.749 ' CD2' HD11 ' A' ' 15' ' ' LEU . 20.5 m-30 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 121.158 0.504 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.777 ' HG1' HG22 ' A' ' 98' ' ' VAL . 1.5 t -110.63 120.46 42.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.886 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.8 m -55.86 -41.72 74.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -176.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.777 HG22 ' HG1' ' A' ' 96' ' ' THR . 9.3 m -52.79 122.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.904 0.859 . . . . 0.0 113.223 -174.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.512 ' OG1' HD12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -91.56 154.76 44.23 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.902 167.308 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.503 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 86.8 Cg_exo -49.15 -40.77 42.16 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.987 2.458 . . . . 0.0 112.984 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -69.16 -39.06 79.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.852 0.358 . . . . 0.0 110.576 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -63.78 -46.62 93.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.18 178.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -33.5 46.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.551 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 t-20 -72.61 -51.04 21.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 110.6 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.2 m -61.63 -35.96 79.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.57 ' HG3' ' HE1' ' A' ' 32' ' ' MET . 0.1 OUTLIER -59.92 -44.28 94.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.598 0.237 . . . . 0.0 110.498 178.484 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.479 ' CZ3' ' HB1' ' A' ' 64' ' ' ALA . 61.3 t-105 -60.88 -41.77 96.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.297 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -63.51 -39.37 94.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.617 ' HB2' ' HE2' ' A' ' 32' ' ' MET . 14.1 mmtt -70.5 -36.42 73.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.382 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.463 HG21 ' HE3' ' A' ' 32' ' ' MET . 2.8 t -62.56 -48.54 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -61.97 -40.44 95.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -75.59 -22.39 56.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.892 -175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -86.62 -10.19 54.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.328 0.585 . . . . 0.0 110.579 178.329 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.443 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 4.7 t -68.61 -51.33 22.43 Favored Pre-proline 0 N--CA 1.448 -0.528 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.321 -176.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 37.3 Cg_endo -65.89 -23.4 54.86 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 122.121 1.881 . . . . 0.0 112.107 178.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -70.5 -49.7 45.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.716 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.529 ' HG3' HD12 ' A' ' 121' ' ' LEU . 4.5 tpt180 -65.25 -36.86 85.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.216 175.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.442 ' OD1' ' HD2' ' A' ' 54' ' ' HIS . 0.5 OUTLIER -58.37 -35.97 72.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.531 175.475 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -73.99 -41.1 62.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.541 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.82 90.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.41 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.529 HD12 ' HG3' ' A' ' 117' ' ' ARG . 9.1 mt -66.48 -43.63 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.871 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' ' 125' ' ' GLN . 0.4 OUTLIER -69.7 -36.06 75.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.62 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -45.64 68.52 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.2 177.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.647 ' HA ' ' HG3' ' A' ' 127' ' ' LYS . 0.5 OUTLIER -69.17 -34.51 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.736 -177.448 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 122' ' ' LEU . 3.2 pt20 -66.05 -33.53 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.5 m -78.34 -9.54 59.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.452 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.647 ' HG3' ' HA ' ' A' ' 124' ' ' GLU . 1.5 mmmm -80.55 -14.14 58.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.226 0.536 . . . . 0.0 109.596 170.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.726 ' HB3' HG22 ' A' ' 44' ' ' ILE . 43.7 mm-40 -100.16 -153.48 0.45 Allowed 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.525 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.691 -0.671 . . . . 0.0 110.106 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.195 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.82 75.58 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.367 0.603 . . . . 0.0 109.651 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.569 ' HA ' HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -85.29 -10.9 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.813 179.102 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.485 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -72.0 -27.82 62.99 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 173.382 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -68.03 -33.17 74.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.383 173.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.569 HD11 ' HA ' ' A' ' 10' ' ' ILE . 14.4 mt -74.19 -32.47 63.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.519 173.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 27.7 m170 -59.82 -37.11 78.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.617 174.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.688 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -58.25 -47.49 83.42 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.997 174.702 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -61.87 -34.54 76.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.969 0.414 . . . . 0.0 110.541 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -65.2 -44.27 88.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.602 ' HA ' HG21 ' A' ' 96' ' ' THR . . . -72.52 -15.7 61.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.47 -179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -22.04 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.773 0.321 . . . . 0.0 111.437 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -106.1 -36.79 6.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.238 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.55 -20.67 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.785 0.326 . . . . 0.0 110.556 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.53 -57.65 3.31 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.868 -175.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.86 -24.42 40.16 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.592 1.528 . . . . 0.0 111.422 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.542 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -70.34 -42.6 71.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.007 175.755 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -64.83 -34.08 77.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 109.53 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -69.61 -36.95 76.65 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.649 -1.159 . . . . 0.0 109.642 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -70.96 -51.24 26.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.061 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.409 ' HE1' ' CZ ' ' A' ' 24' ' ' PHE . 43.4 mtt -53.24 -47.51 68.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.606 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -45.31 83.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.053 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -69.51 -39.34 77.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.017 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.29 -49.46 60.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.737 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.455 ' HE3' HG21 ' A' ' 110' ' ' VAL . 32.3 ttm -57.63 -44.13 85.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.42 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -59.25 -48.38 81.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.592 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.58 -25.79 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.274 0.559 . . . . 0.0 110.33 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.66 -24.11 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.739 -176.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -21.09 14.63 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.466 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -61.75 127.02 29.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.956 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.41 91.39 1.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.225 0.536 . . . . 0.0 110.341 179.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -64.52 133.46 52.43 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.525 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.552 ' O ' HG21 ' A' ' 40' ' ' ILE . 3.2 tp -107.52 135.23 46.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 174.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.538 HG23 HG12 ' A' ' 47' ' ' ILE . 7.9 m -121.25 145.4 27.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.049 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -113.44 -47.29 3.01 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.4 p -112.35 170.44 8.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.355 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.537 HG21 ' HG3' ' A' ' 129' ' ' GLN . 0.5 OUTLIER -73.34 -25.6 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.953 0.406 . . . . 0.0 109.953 178.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.482 ' N ' HG13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -51.74 -53.29 41.22 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.391 176.638 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -72.92 -28.65 62.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.9 -177.784 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.579 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -67.83 -37.33 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.989 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' N ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -77.86 -34.86 51.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.519 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.62 -32.6 71.07 Favored Glycine 0 N--CA 1.452 -0.291 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -61.0 -37.51 82.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.027 -0.586 . . . . 0.0 110.544 175.172 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 47' ' ' ILE . 5.0 mm -66.82 -41.55 87.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.505 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 1.2 m -59.03 -25.69 63.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.906 178.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.01 2.97 11.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.47 0.653 . . . . 0.0 111.248 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.425 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -116.36 -23.71 8.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.404 167.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.67 -47.26 79.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.066 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -80.41 -17.65 51.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.149 0.499 . . . . 0.0 110.138 176.879 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CE1' HG22 ' A' ' 114' ' ' VAL . 29.6 t80 -69.11 -42.29 76.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.838 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.595 ' HE3' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -62.13 -22.09 65.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.967 175.816 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -33.01 22.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.156 0.503 . . . . 0.0 110.2 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.66 -19.82 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.3 178.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.595 HD13 ' HE3' ' A' ' 58' ' ' LYS . 1.9 mt -58.21 -57.43 26.12 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.32 -28.22 78.56 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 121.743 1.629 . . . . 0.0 111.937 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -75.4 -45.3 39.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.617 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.422 ' HB1' ' CZ3' ' A' ' 107' ' ' TRP . . . -73.55 -34.07 65.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.654 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.489 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 30.6 t70 -61.55 -37.02 82.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.213 0.53 . . . . 0.0 109.735 175.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -45.06 96.26 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.256 175.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -59.6 -42.68 93.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.663 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.542 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 3.6 ttp85 -58.15 -47.58 82.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.714 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.36 -39.24 94.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 0.0 110.399 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.72 -16.19 61.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.851 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.37 -39.85 17.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.768 HD13 ' HB3' ' A' ' 100' ' ' PRO . 0.3 OUTLIER -69.7 -23.3 63.41 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.773 171.838 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -72.22 -33.52 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.075 176.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.3 mt -70.88 -45.94 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.045 175.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.514 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -69.87 -13.18 62.13 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.152 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -57.78 -48.8 78.65 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.823 0.344 . . . . 0.0 110.545 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -83.95 -27.6 28.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.283 0.563 . . . . 0.0 109.842 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.531 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -85.35 -1.14 56.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.029 -176.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -121.96 -40.43 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.465 177.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -58.81 -29.61 66.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.665 -174.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.481 HG12 HG23 ' A' ' 10' ' ' ILE . 2.6 pp -65.84 -30.76 51.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.185 0.517 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.22 -30.84 22.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.421 0.629 . . . . 0.0 109.651 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.804 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.688 ' CD2' HD13 ' A' ' 15' ' ' LEU . 15.1 m-85 . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.602 HG21 ' HA ' ' A' ' 18' ' ' ALA . 12.3 t -131.43 104.09 6.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.441 0.639 . . . . 0.0 110.753 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.15 72.68 9.2 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.289 -0.882 . . . . 0.0 111.531 -177.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.64 116.78 50.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.707 177.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 64.3 p -77.12 157.85 80.62 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.049 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.768 ' HB3' HD13 ' A' ' 72' ' ' LEU . 45.2 Cg_exo -58.14 -22.78 58.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.536 2.158 . . . . 0.0 111.112 175.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -80.93 -40.66 24.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.198 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.5 mt -59.36 -51.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.045 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.595 HG23 ' N ' ' A' ' 104' ' ' ASN . 1.2 tp -65.31 -33.51 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.879 -178.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.595 ' N ' HG23 ' A' ' 103' ' ' ILE . 1.5 m-20 -79.16 -49.19 12.97 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.288 -0.257 . . . . 0.0 111.0 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.3 m -62.71 -34.55 77.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.426 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -65.16 -42.13 94.01 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.579 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.0 t-105 -61.34 -44.42 97.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.019 175.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -41.65 86.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.718 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 8.0 tttt -67.44 -37.65 83.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.793 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.455 HG21 ' HE3' ' A' ' 32' ' ' MET . 3.0 t -63.9 -48.87 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.227 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 6.2 mm100 -60.01 -43.68 95.06 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.041 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 1.7 pt20 -73.83 -10.93 60.17 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.21 -8.45 29.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.443 0.64 . . . . 0.0 110.198 176.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.612 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 16.2 t -68.82 -54.73 12.29 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.973 -177.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.612 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 21.8 Cg_exo -66.41 -24.95 49.19 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 122.184 1.922 . . . . 0.0 111.68 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -65.13 -49.09 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.809 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.536 ' HG3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -65.84 -38.28 88.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.276 176.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -29.77 70.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.123 0.487 . . . . 0.0 110.495 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -74.43 -42.4 59.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.656 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.45 87.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.471 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.536 HD11 ' HG3' ' A' ' 117' ' ' ARG . 15.9 mt -64.71 -42.64 95.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.552 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.606 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -61.79 -42.86 99.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -47.59 84.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.101 0.477 . . . . 0.0 110.555 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -39.49 80.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.433 -176.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.606 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -71.26 -25.08 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.818 0.342 . . . . 0.0 110.657 179.194 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.7 m -78.8 -17.4 55.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.982 0.42 . . . . 0.0 110.565 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.46 -9.82 59.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.105 0.479 . . . . 0.0 110.216 176.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.476 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 17.8 mm-40 -104.33 -138.93 0.36 Allowed 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.546 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.537 ' HG3' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.632 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.592 ' HA ' ' HB2' ' A' ' 11' ' ' ASP . 2.6 tt0 . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.587 0.232 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.75 -39.35 76.8 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.553 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.5 pp -85.47 -12.09 11.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.469 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.592 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 0.9 OUTLIER -70.48 -26.96 63.86 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 173.373 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -67.7 -33.79 75.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.37 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.553 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -80.27 -24.33 40.15 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 174.348 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 8.9 m170 -58.98 -32.84 70.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.935 175.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.608 HD11 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -61.91 -41.39 97.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.611 175.199 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.41 -33.56 75.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.698 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 1.9 t80 -66.61 -42.0 87.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 -19.23 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.6 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -16.33 23.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.788 0.328 . . . . 0.0 111.305 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 15.9 mtt180 -107.45 -39.65 5.58 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.577 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 17' ' ' TYR . . . -69.0 -19.56 64.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.701 0.286 . . . . 0.0 110.621 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -58.39 6.06 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.554 -177.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.67 -26.63 45.79 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.565 1.51 . . . . 0.0 111.593 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -69.13 -40.93 77.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.281 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.608 ' HA ' ' HE3' ' A' ' 28' ' ' MET . 38.9 t30 -69.73 -29.6 67.02 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.523 0.678 . . . . 0.0 109.832 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -72.36 -37.87 68.7 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.496 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -67.55 -50.92 56.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.882 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.608 ' HE3' ' HA ' ' A' ' 25' ' ' ASN . 37.8 mtm -57.43 -40.42 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.862 -177.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -64.91 -48.7 73.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.118 179.802 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.0 m -68.45 -38.61 81.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.67 0.271 . . . . 0.0 111.258 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.69 -50.79 55.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.0 110.74 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.562 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 15.1 ttm -63.73 -27.06 68.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.602 178.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 1.1 tt0 -64.52 -45.74 85.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.177 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -69.76 -47.91 61.24 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.532 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.482 HD11 ' N ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -62.21 -28.35 69.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.304 -173.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.562 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -80.03 -33.57 39.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.411 . . . . 0.0 111.414 177.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.13 151.32 23.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.272 0.558 . . . . 0.0 111.836 -173.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.9 121.18 32.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.833 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -70.64 136.21 48.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.983 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.561 ' O ' HG21 ' A' ' 40' ' ' ILE . 5.4 tp -109.27 133.81 53.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.834 173.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.1 m -126.82 150.64 32.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.168 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -112.69 -48.66 2.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.13 0.49 . . . . 0.0 109.797 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.1 p -109.55 168.85 9.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.273 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -71.41 -31.79 44.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.174 0.512 . . . . 0.0 110.323 178.629 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.86 -41.54 61.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.141 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.13 -34.34 72.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.613 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.718 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -64.5 -40.28 88.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' N ' HG23 ' A' ' 47' ' ' ILE . 6.3 mt-10 -62.66 -36.19 82.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.165 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.5 -40.07 40.21 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -55.22 -46.91 75.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.011 -0.595 . . . . 0.0 111.073 175.232 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.718 HG12 ' O ' ' A' ' 47' ' ' ILE . 8.5 mm -63.22 -48.04 89.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.275 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.0 m -58.94 -39.25 81.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.46 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.15 93.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.792 0.329 . . . . 0.0 110.99 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.44 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 4.5 t60 -76.85 -31.47 56.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.334 177.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.5 -52.6 51.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.997 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.93 -20.36 64.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.552 0.692 . . . . 0.0 109.996 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.428 ' HD1' ' HD2' ' A' ' 58' ' ' LYS . 14.7 t80 -67.5 -40.09 85.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.666 175.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 54' ' ' HIS . 11.9 mmmm -65.63 -17.59 64.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.959 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.49 -30.88 17.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.079 178.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -74.87 -24.29 58.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.533 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.482 ' HB2' ' HD3' ' A' ' 62' ' ' PRO . 1.8 mt -56.69 -57.23 25.13 Favored Pre-proline 0 C--O 1.221 -0.42 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.138 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 51.1 Cg_exo -56.34 -34.14 93.31 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.966 1.777 . . . . 0.0 112.235 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -67.03 -54.61 19.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.213 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 107' ' ' TRP . . . -69.39 -27.34 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.253 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 34.2 t70 -68.97 -27.97 66.2 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.273 0.559 . . . . 0.0 110.285 177.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -28.18 40.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.061 0.457 . . . . 0.0 109.905 173.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.414 ' OE1' ' HD3' ' A' ' 20' ' ' ARG . 5.6 mm-40 -68.89 -43.53 75.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.207 178.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 6.2 ptm180 -59.42 -35.26 73.65 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 120.813 0.34 . . . . 0.0 110.486 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -73.98 -37.91 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.293 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.15 -22.63 62.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.195 0.522 . . . . 0.0 110.885 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.71 -39.06 15.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -69.24 -26.73 64.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.372 174.239 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.83 78.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.52 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.4 mt -65.62 -47.89 84.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.517 0.675 . . . . 0.0 109.791 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -67.81 -16.84 64.3 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.906 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -37.29 82.4 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 122.17 -0.331 . . . . 0.0 110.801 -177.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -92.38 -29.38 16.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.341 0.591 . . . . 0.0 109.873 177.619 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.406 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . . . -92.92 -0.34 57.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.715 -173.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.6 OUTLIER -119.33 -43.4 2.62 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.282 176.286 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.7 OUTLIER -56.9 -28.83 62.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.173 -175.039 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.46 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 2.5 pp -63.51 -33.58 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.191 0.519 . . . . 0.0 110.637 178.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.61 -7.96 56.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.14 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.176 177.584 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.608 ' CD2' HD11 ' A' ' 15' ' ' LEU . 23.2 m-85 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.714 0.292 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.4 t -96.72 147.19 24.17 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.25 61.45 1.72 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.827 0.823 . . . . 0.0 111.76 -176.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.3 m -134.7 153.45 35.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.326 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.8 p -124.44 166.62 18.76 Favored Pre-proline 0 C--N 1.316 -0.854 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.6 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 49.5 Cg_exo -57.42 -24.86 63.05 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.25 1.967 . . . . 0.0 111.531 173.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -79.15 -48.26 14.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.055 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 mt -57.12 -44.41 83.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.113 0.482 . . . . 0.0 110.569 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.549 HG22 ' N ' ' A' ' 104' ' ' ASN . 0.2 OUTLIER -69.27 -35.33 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.453 -179.73 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.6 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 t-20 -77.04 -49.54 15.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.203 -177.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.6 p -54.61 -40.46 68.91 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.785 0.326 . . . . 0.0 111.223 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -66.91 -47.55 71.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.991 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 64' ' ' ALA . 67.0 t-105 -57.92 -42.21 84.32 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.989 0.424 . . . . 0.0 110.283 177.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.1 -46.35 90.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.682 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -37.08 85.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.415 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.552 ' O ' HG21 ' A' ' 114' ' ' VAL . 3.0 t -62.74 -48.81 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.188 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.47 ' NE2' HD13 ' A' ' 61' ' ' LEU . 13.0 mm-40 -61.28 -42.2 98.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.695 -177.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -74.52 -21.91 59.3 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 mt -88.08 -10.52 49.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.342 0.591 . . . . 0.0 110.561 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 110' ' ' VAL . 16.3 t -68.31 -52.18 22.34 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.716 -175.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.502 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 34.9 Cg_exo -61.1 -35.48 86.42 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.307 2.004 . . . . 0.0 112.206 178.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -62.9 -47.75 81.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 110.307 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.468 ' HG3' HD13 ' A' ' 121' ' ' LEU . 6.1 tpp85 -65.41 -36.68 84.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.565 177.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.55 -30.56 71.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.238 0.542 . . . . 0.0 110.352 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -78.81 -44.84 22.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.41 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.688 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.468 HD13 ' HG3' ' A' ' 117' ' ' ARG . 30.3 mt -61.61 -49.97 74.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.654 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.692 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 9.5 mt -61.36 -45.65 93.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.76 -42.2 92.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.235 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.96 -35.46 43.07 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.659 0.266 . . . . 0.0 111.587 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.692 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.1 OUTLIER -69.98 -25.82 63.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.737 0.303 . . . . 0.0 110.739 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.5 m -73.95 -11.08 60.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.856 0.36 . . . . 0.0 110.754 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -93.47 -5.23 49.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.926 0.394 . . . . 0.0 110.453 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -88.77 -128.72 0.07 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.495 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.254 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 C--O 1.234 0.238 0 CA-C-O 120.978 0.418 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.94 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.216 0.531 . . . . 0.0 109.906 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.59 HD11 HD13 ' A' ' 81' ' ' ILE . 1.3 pp -77.87 -11.55 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.411 178.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.0 OUTLIER -70.74 -26.37 63.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.698 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -73.58 -27.15 61.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.328 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.432 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 50.4 mt -72.58 -36.26 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 170.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 41.1 m170 -59.49 -38.15 80.11 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.647 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.64 HD12 ' CD2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.78 -46.86 86.55 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.745 173.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -66.56 -31.03 71.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.044 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.595 ' HB3' HG21 ' A' ' 96' ' ' THR . 1.6 t80 -71.73 -45.15 62.68 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.21 -24.81 63.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.751 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -34.33 48.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.858 0.361 . . . . 0.0 110.598 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.38 -38.16 16.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.647 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.14 -18.95 64.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.634 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.17 -59.54 9.69 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.933 -177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.45 -27.45 19.08 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.435 1.423 . . . . 0.0 111.893 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.457 ' HE1' ' HB3' ' A' ' 64' ' ' ALA . 0.8 OUTLIER -65.38 -43.99 88.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.008 177.662 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -71.09 -28.31 64.24 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.003 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -66.78 -40.63 88.24 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.608 0.718 . . . . 0.0 109.17 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -65.65 -48.3 72.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.807 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.492 ' HE2' ' O ' ' A' ' 103' ' ' ILE . 26.4 mtt -62.52 -16.73 57.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.599 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -85.12 -65.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.569 0.223 . . . . 0.0 110.501 175.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.9 m -61.78 -43.22 99.28 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.34 74.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 111.084 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.682 ' HE1' ' HB3' ' A' ' 109' ' ' LYS . 16.6 ttm -64.52 -36.44 84.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.602 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -67.39 -37.7 83.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.34 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.25 -34.3 49.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.227 0.537 . . . . 0.0 110.608 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 mp -70.08 -38.17 75.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.814 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -38.99 72.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.855 -178.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.09 143.85 47.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.833 0.349 . . . . 0.0 111.555 -173.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.3 tpt -70.12 127.62 33.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.903 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -85.89 134.65 33.88 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.189 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 40' ' ' ILE . 7.3 tp -104.54 127.2 59.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 121.647 0.737 . . . . 0.0 110.028 176.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.4 m -126.78 148.8 31.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.509 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -124.34 -40.74 2.22 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.902 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 p -113.04 166.53 11.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.479 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.475 HD11 HG21 ' A' ' 47' ' ' ILE . 3.3 tp -65.31 -39.55 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.672 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.18 -38.64 77.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.062 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.6 -52.0 65.11 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.478 0.18 . . . . 0.0 110.879 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.676 ' O ' HG12 ' A' ' 51' ' ' ILE . 1.8 tt -68.01 -29.38 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-O 120.822 0.344 . . . . 0.0 110.146 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -27.63 63.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.82 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.92 -35.68 11.06 Favored Glycine 0 CA--C 1.506 -0.505 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.486 ' HB3' HD23 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -48.87 -46.52 42.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.832 -0.684 . . . . 0.0 111.3 172.403 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.676 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.8 mm -66.49 -36.35 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.204 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.13 -31.25 72.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.004 0.431 . . . . 0.0 110.769 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.71 -24.5 66.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.897 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.43 ' HD2' ' OD1' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -91.17 -28.07 18.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.222 176.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.1 -50.08 69.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.392 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -71.38 -18.76 62.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.902 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -66.57 -36.07 81.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.127 0.489 . . . . 0.0 110.103 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.37 -12.76 61.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.977 177.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.72 -26.63 13.1 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.88 -28.9 29.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.4 . . . . 0.0 110.559 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.415 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 4.2 mt -55.75 -58.13 17.55 Favored Pre-proline 0 C--O 1.221 -0.403 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.098 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 12.4 Cg_endo -55.96 -34.06 90.94 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.193 1.928 . . . . 0.0 112.744 -177.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.54 -48.73 59.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.059 0.457 . . . . 0.0 110.326 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HB3' ' HE1' ' A' ' 24' ' ' PHE . . . -72.05 -31.92 66.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.694 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.405 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 14.8 t70 -64.02 -43.29 96.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.741 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.56 -31.06 72.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.215 0.531 . . . . 0.0 110.285 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -70.38 -32.92 70.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.241 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -33.68 76.15 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.955 0.407 . . . . 0.0 110.252 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -35.7 65.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.851 176.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.47 -13.19 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.54 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.0 -37.41 8.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 72' ' ' LEU . 9.0 mt -70.92 -23.67 62.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.497 175.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.74 -18.05 65.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.186 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.9 mt -86.91 -36.93 10.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.708 0.766 . . . . 0.0 109.929 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.499 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -71.67 -30.62 65.92 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.798 -174.228 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -62.3 -32.17 72.88 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.013 -176.647 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.473 ' N ' ' HD3' ' A' ' 76' ' ' LYS . 4.3 tp10 -89.24 -31.41 17.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.177 0.513 . . . . 0.0 110.469 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.31 4.8 53.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -175.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -122.91 -51.15 1.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 177.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 ptt-85 -56.88 -29.78 63.26 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.494 0.497 . . . . 0.0 111.119 -173.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.59 HD13 HD11 ' A' ' 10' ' ' ILE . 1.9 pp -56.05 -44.37 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.018 0.437 . . . . 0.0 110.163 177.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.424 ' N ' HD11 ' A' ' 81' ' ' ILE . . . -76.81 -34.78 57.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.482 -176.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.32 -0.676 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.6 178.18 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.64 ' CD2' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.595 HG21 ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -77.32 74.15 3.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.624 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 m -61.08 -37.17 81.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.763 0.792 . . . . 0.0 109.737 171.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.44 106.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.37 -1.286 . . . . 0.0 111.109 175.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.54 ' OG1' HD11 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -90.33 163.28 31.8 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.11 176.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.511 ' HD2' HG23 ' A' ' 99' ' ' THR . 81.8 Cg_exo -49.09 -37.49 38.27 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.238 2.625 . . . . 0.0 112.834 177.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -72.9 -35.29 67.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.189 -177.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.54 HD11 ' OG1' ' A' ' 99' ' ' THR . 3.5 mt -63.83 -47.38 91.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.542 HG21 ' N ' ' A' ' 104' ' ' ASN . 0.4 OUTLIER -70.67 -33.51 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.372 -178.695 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.542 ' N ' HG21 ' A' ' 103' ' ' ILE . 5.0 t-20 -76.41 -42.81 42.93 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.039 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.6 p -61.47 -39.78 92.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.808 0.337 . . . . 0.0 110.724 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -63.14 -46.72 85.92 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.58 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.405 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 70.7 t-105 -61.79 -42.55 99.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.397 176.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -62.57 -41.76 99.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.323 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.682 ' HB3' ' HE1' ' A' ' 32' ' ' MET . 0.1 OUTLIER -60.54 -40.96 93.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.471 176.457 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.38 -43.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.377 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -60.63 -44.25 96.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.511 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.51 -11.98 59.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.3 mt -85.89 -15.97 40.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.909 0.385 . . . . 0.0 110.331 178.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.425 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 57.7 t -62.79 -57.82 19.82 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.108 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.425 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 24.6 Cg_endo -63.31 -31.86 73.18 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.171 1.914 . . . . 0.0 112.12 178.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -51.88 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.368 0.604 . . . . 0.0 110.414 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.52 ' HG3' HD12 ' A' ' 121' ' ' LEU . 2.0 tpt180 -70.47 -33.99 71.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.557 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.43 ' OD1' ' HD2' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -62.76 -34.3 76.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.274 0.559 . . . . 0.0 109.919 178.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -72.34 -44.71 62.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.996 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.45 87.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.032 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.52 HD12 ' HG3' ' A' ' 117' ' ' ARG . 38.9 mt -70.82 -50.26 37.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.368 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.497 ' HA ' HD11 ' A' ' 122' ' ' LEU . 0.9 OUTLIER -77.73 0.39 23.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.844 -175.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.09 -14.13 16.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.144 0.497 . . . . 0.0 109.757 172.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.501 ' HB3' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -102.84 -48.23 4.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.357 -174.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.49 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -67.79 -20.11 65.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.719 -174.553 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.44 -20.26 58.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.856 0.36 . . . . 0.0 110.784 178.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 5.47 50.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.01 0.434 . . . . 0.0 110.405 178.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 125' ' ' GLN . 4.0 mm-40 -84.56 -130.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.31 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.407 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 1.2 pt20 . . . . . 0 C--O 1.247 0.922 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--O 1.233 0.222 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.41 -34.35 67.79 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.594 -176.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.44 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.1 pp -87.63 -16.04 9.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.254 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 5.7 t70 -73.23 -27.42 61.59 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.04 176.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -74.31 -7.83 54.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.905 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -113.33 -5.51 13.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 170.652 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -61.92 -39.91 93.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.832 177.557 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.808 HD13 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -71.55 -21.47 61.88 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.32 -176.616 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.548 ' N ' HD21 ' A' ' 15' ' ' LEU . 4.4 tp10 -66.84 -40.31 87.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.908 176.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.472 ' HB3' HG21 ' A' ' 96' ' ' THR . 0.3 OUTLIER -62.64 -47.46 83.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.223 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.53 -24.58 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.647 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -83.23 -26.84 30.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.596 0.236 . . . . 0.0 111.045 179.231 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -91.96 -36.95 13.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.882 0.372 . . . . 0.0 110.782 -179.315 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.46 -22.73 64.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.368 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.04 -59.62 10.79 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.112 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.57 -29.51 24.64 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.576 1.517 . . . . 0.0 111.677 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.482 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 3.4 t80 -65.83 -42.32 90.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.683 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.46 -26.13 60.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.317 0.58 . . . . 0.0 109.945 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -74.82 -38.1 62.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.373 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -66.72 -47.63 71.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.867 177.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.425 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 6.2 mtm -60.88 -36.13 78.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.932 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.569 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 21.1 mm-40 -61.0 -55.46 32.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.676 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -39.53 90.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.49 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.267 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.523 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 15.1 ttm -68.31 -25.49 65.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.444 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.569 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -68.09 -44.56 75.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.196 177.807 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.88 -46.77 70.74 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.649 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.98 -27.94 69.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.201 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -69.74 -32.18 70.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.009 178.7 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -78.59 -176.63 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.115 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.28 144.58 49.9 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.513 177.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -100.45 135.41 41.93 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.282 0.563 . . . . 0.0 111.087 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.0 tp -120.26 137.38 54.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.486 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.517 HG11 HD22 ' A' ' 50' ' ' LEU . 8.8 m -126.72 151.51 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -104.67 -59.84 1.68 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.174 0.512 . . . . 0.0 109.714 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.569 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -105.49 172.5 6.76 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.113 -177.102 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.54 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -69.75 -31.14 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 110.85 -175.331 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.569 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 1.5 mp0 -62.08 -34.55 76.5 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 177.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -73.39 -36.19 66.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.282 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.767 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -65.24 -39.55 85.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.162 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.595 ' N ' HG23 ' A' ' 47' ' ' ILE . 26.8 mm-40 -74.27 -30.97 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.375 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.03 -37.82 87.92 Favored Glycine 0 CA--C 1.505 -0.559 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.517 HD22 HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -62.07 -48.93 78.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.724 -0.738 . . . . 0.0 110.593 172.237 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.767 HG12 ' O ' ' A' ' 47' ' ' ILE . 19.4 mm -56.22 -51.22 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.67 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 m -54.78 -37.42 65.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.36 66.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.24 0.543 . . . . 0.0 111.208 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.409 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 6.7 t60 -91.42 -29.58 16.98 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.803 175.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -62.41 -49.12 76.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.627 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -71.98 -21.56 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.261 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.43 ' HE2' HG21 ' A' ' 114' ' ' VAL . 45.8 t80 -65.62 -35.3 80.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.731 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.521 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 1.5 mmmm -70.85 -18.95 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.498 0.665 . . . . 0.0 109.827 178.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 m -87.82 -33.26 18.67 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.542 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -21.19 54.92 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.641 0.258 . . . . 0.0 111.407 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.62 ' HB2' ' HD3' ' A' ' 62' ' ' PRO . 2.6 mt -54.46 -57.87 16.68 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.081 -177.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.62 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 49.0 Cg_exo -56.27 -35.38 95.63 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.205 1.937 . . . . 0.0 112.884 -177.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -69.65 -54.42 14.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.122 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.24 -33.51 75.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.045 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 22.2 t70 -61.37 -47.14 87.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.427 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 4.2 mmm180 -65.23 -33.1 75.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.442 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -60.85 -43.88 97.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.528 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.482 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -59.37 -37.29 77.55 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.966 0.413 . . . . 0.0 110.536 179.524 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.65 -43.14 66.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.361 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.01 -19.16 65.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.147 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.46 HD13 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -84.23 -40.04 15.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -179.267 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.478 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -71.41 -22.49 61.85 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.417 175.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.01 -44.48 80.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.414 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.0 mt -62.22 -42.4 95.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.542 0.687 . . . . 0.0 109.879 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.536 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -66.19 -24.86 66.7 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.85 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -61.64 -44.43 96.98 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.334 178.311 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -83.18 -23.56 32.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -177.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.0 6.44 38.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.291 -176.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -124.34 -42.28 2.12 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.593 175.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.559 ' HA ' ' HB2' ' A' ' 83' ' ' GLU . 20.8 ptt85 -59.93 -22.03 61.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 -176.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 pp -65.2 -34.43 70.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-O 121.156 0.503 . . . . 0.0 110.578 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.42 -19.46 26.51 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.659 0.742 . . . . 0.0 109.659 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.559 ' HB2' ' HA ' ' A' ' 80' ' ' ARG . 88.6 mt-10 . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.262 176.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.808 ' CE2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.32 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -84.84 70.16 10.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.753 -176.649 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.03 47.52 1.51 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.393 1.092 . . . . 0.0 110.14 175.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.81 111.9 12.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.508 -176.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.489 HG23 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -80.85 148.99 66.36 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.676 -179.115 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 99' ' ' THR . 10.7 Cg_endo -54.81 -39.2 91.01 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.821 2.347 . . . . 0.0 112.281 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -65.02 -36.99 86.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.347 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.521 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.1 mp -64.3 -33.03 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.988 -176.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -93.89 -34.82 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 120.73 0.3 . . . . 0.0 111.644 -178.125 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.534 ' N ' HG22 ' A' ' 103' ' ' ILE . 41.2 t30 -76.91 -43.43 35.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.675 0.274 . . . . 0.0 111.375 -176.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 m -74.91 -24.46 58.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.571 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 3.4 mttt -68.08 -38.37 82.3 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 174.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 67.4 t-105 -60.2 -42.15 94.5 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 174.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.59 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.565 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 18.5 mttm -64.94 -40.64 95.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.076 0.465 . . . . 0.0 109.975 174.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.86 -48.14 89.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.046 176.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -61.39 -31.67 71.58 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.386 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.4 pt20 -70.58 -23.39 62.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -178.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.7 mt -98.3 -8.61 26.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.316 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.445 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 86.3 t -67.12 -56.32 13.61 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.683 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 21.4 Cg_endo -60.71 -33.43 93.17 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.853 -178.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -63.24 -48.79 76.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.213 0.53 . . . . 0.0 110.308 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.51 ' HG3' HD11 ' A' ' 121' ' ' LEU . 23.3 tpp85 -74.21 -29.42 61.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.66 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -33.85 76.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.185 0.517 . . . . 0.0 110.041 176.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -88.61 -44.26 10.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.662 -175.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.35 87.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.972 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.51 HD11 ' HG3' ' A' ' 117' ' ' ARG . 18.4 mt -67.78 -48.25 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.625 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -58.29 -44.79 88.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.237 178.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -45.25 88.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.682 0.277 . . . . 0.0 110.875 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -42.4 87.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.554 -178.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -67.74 -26.23 66.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 110.557 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.6 m -78.83 -16.26 57.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.621 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -87.63 4.47 43.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.32 0.581 . . . . 0.0 110.375 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -106.45 -138.74 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.587 175.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.992 0 CA-C-O 119.001 -0.523 . . . . 0.0 109.763 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.703 0.287 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.29 -36.75 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 110.163 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.473 ' HA ' HD23 ' A' ' 13' ' ' LEU . 1.3 pp -79.07 -17.6 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.637 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 7.7 t70 -73.27 -27.6 61.65 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -72.36 -16.58 61.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.105 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.646 HD12 ' HB1' ' A' ' 78' ' ' ALA . 0.5 OUTLIER -105.39 -6.56 19.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.169 0.509 . . . . 0.0 109.737 171.687 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.55 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -60.59 -34.43 74.2 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.029 175.528 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.726 HD11 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -78.47 -26.55 46.1 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.753 -179.698 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' N ' HD21 ' A' ' 15' ' ' LEU . 4.9 mm-40 -63.44 -39.02 93.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.939 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -51.16 70.81 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 172.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.58 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.717 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -34.89 43.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.454 179.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -87.1 -37.11 17.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 111.299 -179.376 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.91 -20.72 65.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.746 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.517 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -65.21 -61.18 6.45 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.068 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 44.3 Cg_endo -69.42 -27.02 28.58 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.535 1.49 . . . . 0.0 111.906 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.497 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.0 t80 -67.19 -43.11 82.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.199 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -67.83 -28.61 67.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.446 0.641 . . . . 0.0 109.664 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.95 -37.33 78.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.913 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -65.91 -47.85 73.41 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.319 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.477 ' HE3' ' O ' ' A' ' 103' ' ' ILE . 33.3 mtt -55.36 -42.13 73.49 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.907 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -59.24 -58.54 8.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.437 177.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -57.09 -40.63 77.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.303 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.45 -55.0 10.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.334 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.699 ' HE1' HG22 ' A' ' 110' ' ' VAL . 11.1 ttm -62.9 -34.97 78.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.211 -177.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.561 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -75.25 -37.07 61.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.38 -179.348 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.82 -42.06 91.04 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 35' ' ' LEU . 1.2 mp -71.15 -25.06 62.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.648 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -79.17 -40.94 29.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 177.753 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -72.47 168.6 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.3 0.571 . . . . 0.0 111.377 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.24 144.77 29.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.486 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -104.02 113.96 27.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.111 0.482 . . . . 0.0 110.711 -177.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.469 HD12 HG21 ' A' ' 40' ' ' ILE . 2.2 mm -93.65 127.03 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 121.198 0.523 . . . . 0.0 109.853 175.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.51 HG13 HD21 ' A' ' 50' ' ' LEU . 28.7 m -120.76 143.05 34.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.008 -176.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -102.28 -44.06 5.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.327 0.584 . . . . 0.0 109.72 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.727 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -126.99 162.44 25.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.787 -177.343 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -67.83 -24.13 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.93 -177.374 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.727 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -54.47 -44.37 72.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.277 0.56 . . . . 0.0 109.729 174.242 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -74.48 -34.44 63.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.471 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.673 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -64.06 -37.84 80.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.379 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -31.04 62.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.291 0.567 . . . . 0.0 109.482 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.06 -36.31 64.34 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.51 HD21 HG13 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -59.73 -43.97 93.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.899 -0.651 . . . . 0.0 110.365 174.017 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.673 HG12 ' O ' ' A' ' 47' ' ' ILE . 8.9 mm -61.63 -43.35 96.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.795 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 m -62.12 -27.39 68.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.227 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.75 -5.14 38.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.996 0.427 . . . . 0.0 111.068 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.464 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -111.81 -31.6 6.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.071 0.462 . . . . 0.0 109.768 171.245 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -65.42 -50.3 65.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.794 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.546 ' HA ' ' OG ' ' A' ' 59' ' ' SER . 17.5 mm-40 -76.17 -15.44 60.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.245 0.545 . . . . 0.0 110.275 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 42.5 t80 -73.5 -32.01 64.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.834 173.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -73.74 -15.96 61.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.434 175.809 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.546 ' OG ' ' HA ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -89.03 -25.19 22.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.543 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -32.04 34.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.932 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 3.8 mt -53.02 -51.53 73.98 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -175.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 9.5 Cg_endo -52.46 -36.91 71.75 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.504 2.136 . . . . 0.0 113.473 -178.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -88.72 -34.38 17.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.614 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.7 88.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.664 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.4 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 18.1 t70 -63.35 -38.98 93.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.434 0.635 . . . . 0.0 109.389 175.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 66' ' ' ARG . 10.5 mtp-105 -62.77 -38.76 91.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.313 176.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -60.2 -46.32 90.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.54 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.497 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -59.27 -37.21 77.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.386 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -71.04 -40.84 71.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.525 176.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.79 -15.21 61.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.456 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.18 -38.93 11.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.624 HD21 ' HB3' ' A' ' 100' ' ' PRO . 2.2 mt -69.92 -28.23 65.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.165 174.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.52 -40.64 92.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.241 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.8 mt -65.42 -36.95 78.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.818 0.818 . . . . 0.0 109.834 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -77.87 -16.49 58.23 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.024 -177.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.554 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -61.79 -42.74 99.39 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.746 -175.827 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.28 -26.79 23.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.225 0.536 . . . . 0.0 109.869 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.646 ' HB1' HD12 ' A' ' 13' ' ' LEU . . . -79.09 -7.37 58.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.328 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -115.46 -30.08 6.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.088 174.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.554 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -60.88 -28.2 68.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.663 0.268 . . . . 0.0 110.801 -176.538 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 pp -64.7 -42.01 93.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.96 0.41 . . . . 0.0 110.33 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.95 -21.4 47.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.413 0.625 . . . . 0.0 110.418 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.61 176.732 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.726 ' CE2' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.447 0 CA-C-O 121.546 0.688 . . . . 0.0 109.367 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.42 72.32 7.29 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.21 -0.905 . . . . 0.0 112.289 -177.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.6 m -67.34 -36.43 81.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.807 0.813 . . . . 0.0 109.49 170.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.32 123.53 16.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.241 176.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 57.2 p -102.07 166.86 11.37 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.195 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.624 ' HB3' HD21 ' A' ' 72' ' ' LEU . 32.8 Cg_exo -60.41 -32.43 93.87 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.415 2.076 . . . . 0.0 111.171 172.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -43.69 69.97 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.66 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 3.6 mt -56.28 -51.66 60.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.387 177.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.608 HG21 ' N ' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -72.11 -37.52 60.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.629 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.608 ' N ' HG21 ' A' ' 103' ' ' ILE . 7.5 t30 -76.76 -49.35 16.16 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.092 -0.38 . . . . 0.0 111.578 -176.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.2 m -68.79 -30.26 68.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.3 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 17.9 mtpt -71.41 -34.26 70.18 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.305 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.4 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 60.2 t-105 -62.59 -45.63 92.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.092 0.472 . . . . 0.0 109.947 175.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.37 -33.11 75.19 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.343 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.701 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -68.04 -37.39 81.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.5 175.113 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.699 HG22 ' HE1' ' A' ' 32' ' ' MET . 2.2 t -63.82 -48.94 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.738 177.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.442 ' NE2' HD12 ' A' ' 61' ' ' LEU . 36.0 mm-40 -61.9 -37.56 85.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.223 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.701 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -76.37 -5.79 48.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.813 -178.093 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.502 HD11 ' HG2' ' A' ' 32' ' ' MET . 7.1 mt -102.41 -7.54 21.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.443 0.64 . . . . 0.0 110.28 176.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.586 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 69.6 t -71.91 -52.64 7.59 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.587 -175.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.586 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 40.6 Cg_exo -57.8 -46.83 23.92 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.554 2.169 . . . . 0.0 113.353 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -58.21 -37.1 74.14 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.971 0.415 . . . . 0.0 111.036 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.521 ' HG3' HD12 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -75.89 -39.22 56.84 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.224 179.258 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -30.82 70.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.22 0.533 . . . . 0.0 110.245 177.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -79.82 -44.15 21.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.134 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.25 83.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.813 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.521 HD12 ' HG3' ' A' ' 117' ' ' ARG . 31.7 mt -62.47 -47.24 84.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.295 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.707 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -63.03 -36.81 84.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.945 177.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -58.17 -48.7 79.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 110.586 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.498 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -72.26 -41.88 66.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.875 -177.221 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.707 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.4 pt20 -62.28 -28.08 69.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.695 0.284 . . . . 0.0 111.119 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 m -92.67 -4.62 52.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.207 0.527 . . . . 0.0 110.533 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -98.56 -0.16 43.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.161 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 124' ' ' GLU . 90.0 mm-40 -86.57 -134.54 0.07 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.72 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.096 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.129 0.49 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.8 82.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.93 -178.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.447 ' HB ' ' HA ' ' A' ' 78' ' ' ALA . 1.5 pp -84.41 -6.56 10.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.18 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.455 ' O ' ' HE2' ' A' ' 95' ' ' TYR . 1.5 t0 -87.95 -22.91 24.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.112 0.482 . . . . 0.0 110.171 175.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.543 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 96.7 mm-40 -89.97 -16.41 29.94 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 175.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -77.01 -41.37 43.01 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 112.846 -1.979 . . . . 0.0 108.501 167.446 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 11' ' ' ASP . 12.5 m170 -55.37 -32.18 62.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.723 171.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.611 HD22 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -55.76 -45.59 78.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.257 -179.13 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -30.94 69.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.327 -179.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.474 ' HE2' ' CB ' ' A' ' 75' ' ' HIS . 1.2 t80 -69.65 -46.81 65.3 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.43 -11.58 60.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.217 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 15' ' ' LEU . 1.6 mptp? -90.18 -31.19 17.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.831 176.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.458 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -94.89 -42.48 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.706 0.289 . . . . 0.0 111.675 -177.584 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.666 ' HB3' HG12 ' A' ' 98' ' ' VAL . . . -70.75 -15.15 62.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.95 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.437 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -74.48 -55.68 2.65 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.165 -175.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.437 ' HD3' ' CB ' ' A' ' 22' ' ' ALA . 15.1 Cg_exo -69.47 -26.81 28.57 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.76 1.64 . . . . 0.0 111.474 175.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.679 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.3 t80 -68.75 -41.91 78.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.424 177.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.544 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 64.1 t30 -69.81 -30.68 68.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.384 0.611 . . . . 0.0 109.5 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -71.99 -37.48 69.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.359 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -63.68 -45.48 89.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.604 175.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.494 ' HE1' ' HB2' ' A' ' 107' ' ' TRP . 56.7 mtt -62.77 -39.03 92.93 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.537 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 7.9 mm-40 -60.21 -48.27 82.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 177.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.0 m -62.15 -45.12 94.86 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.481 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.77 -49.52 65.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.8 ttm -63.51 -30.57 71.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 -177.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -85.27 -40.18 16.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.331 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.78 -45.83 91.06 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.599 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.429 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 5.8 mp -71.26 -23.22 61.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.034 -175.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -24.08 21.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.388 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.77 155.72 32.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.375 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.0 ttm -94.4 136.74 34.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.734 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 121' ' ' LEU . 32.3 p90 -101.98 135.93 42.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.209 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.7 tp -119.23 137.11 54.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 173.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.75 156.59 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.975 -175.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -115.17 -39.17 3.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.239 0.542 . . . . 0.0 109.829 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.546 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -130.46 172.11 12.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.688 -176.28 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.597 HD12 ' HG2' ' A' ' 129' ' ' GLN . 0.6 OUTLIER -76.4 -25.63 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.108 0.48 . . . . 0.0 110.122 -179.178 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.546 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 3.0 mp0 -56.97 -47.16 81.42 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.548 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -77.57 -25.56 50.12 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.084 178.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.732 HG13 ' HG3' ' A' ' 128' ' ' GLN . 0.1 OUTLIER -65.07 -38.37 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.443 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -74.58 -29.64 61.41 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.475 ' N ' ' HG3' ' A' ' 48' ' ' GLU . . . -72.74 -38.59 56.72 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -53.06 -45.96 68.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.811 -0.695 . . . . 0.0 110.785 174.215 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.1 mm -68.88 -45.75 80.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.8 m -58.09 -40.24 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.522 0.201 . . . . 0.0 111.236 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -32.16 72.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 0.0 111.167 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -83.48 -34.43 25.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.344 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -67.11 -45.61 76.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.857 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -25.64 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.153 0.502 . . . . 0.0 109.827 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.412 ' HE2' HG22 ' A' ' 114' ' ' VAL . 58.6 t80 -69.15 -38.22 78.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.36 176.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HE2' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -60.41 -26.32 66.6 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.238 174.056 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.61 -23.94 19.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 m -78.98 -20.73 48.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.096 0.474 . . . . 0.0 110.536 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.506 HD13 ' NE2' ' A' ' 111' ' ' GLN . 3.9 mt -58.33 -56.84 31.07 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.335 -177.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.2 Cg_endo -54.01 -33.34 72.55 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.062 1.841 . . . . 0.0 113.061 -177.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.84 -47.4 38.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.035 0.445 . . . . 0.0 110.567 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.72 -30.63 70.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.641 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 11.3 t0 -59.34 -44.74 92.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.302 177.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -36.17 83.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.792 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' OE1' ' HD3' ' A' ' 20' ' ' ARG . 45.5 mm-40 -62.51 -39.8 94.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.498 177.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.679 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -60.57 -41.22 94.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.966 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -36.58 65.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.542 178.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.31 -14.97 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.722 ' HA ' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -86.14 -38.36 12.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.579 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 100' ' ' PRO . 1.1 mt -68.11 -24.62 65.05 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.301 173.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.75 76.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.547 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.722 HD11 ' HA ' ' A' ' 71' ' ' ILE . 7.8 mt -70.89 -43.55 76.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.564 0.697 . . . . 0.0 109.78 174.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.474 ' CB ' ' HE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -65.45 -18.76 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.918 -179.041 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 19.5 mttt -59.91 -48.13 82.95 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.732 0.301 . . . . 0.0 110.664 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.514 ' HB2' HD22 ' A' ' 13' ' ' LEU . 61.6 mm-40 -82.03 -26.3 33.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.331 0.586 . . . . 0.0 110.223 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.447 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -87.77 -1.94 58.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.938 -176.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -124.04 -34.07 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.764 177.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 28.7 ptt85 -58.35 -26.86 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.026 0.204 . . . . 0.0 111.282 -175.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 pp -61.52 -44.19 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 0.0 110.262 176.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.73 -20.56 46.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.314 0.578 . . . . 0.0 110.313 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 23.0 mt-10 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.625 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.611 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.517 -0.326 0 CA-C-O 121.636 0.732 . . . . 0.0 109.126 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.455 HG23 ' CD1' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -91.96 72.65 5.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.582 -177.685 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 m -76.49 -38.19 55.65 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.845 0.831 . . . . 0.0 108.794 171.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.666 HG12 ' HB3' ' A' ' 21' ' ' ALA . 1.4 p -52.86 108.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.282 171.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.522 HG21 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -96.34 157.93 34.72 Favored Pre-proline 0 N--CA 1.447 -0.607 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.098 -174.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.713 ' HB3' HD22 ' A' ' 72' ' ' LEU . 6.1 Cg_endo -50.35 -42.08 49.09 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.084 2.523 . . . . 0.0 112.706 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -38.24 83.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 0.0 110.517 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.62 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -61.84 -37.37 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.626 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.612 HG22 ' N ' ' A' ' 104' ' ' ASN . 0.2 OUTLIER -85.67 -34.75 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.852 0.358 . . . . 0.0 111.499 -177.411 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.612 ' N ' HG22 ' A' ' 103' ' ' ILE . 1.7 t30 -73.64 -49.03 28.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.791 0.329 . . . . 0.0 111.446 -178.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.8 m -67.78 -33.23 74.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.064 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.8 OUTLIER -64.0 -48.86 74.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.264 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.494 ' HB2' ' HE1' ' A' ' 28' ' ' MET . 61.2 t-105 -55.22 -44.33 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.403 176.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -43.85 87.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.138 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 4.7 mmtt -75.62 -29.0 59.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.665 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.64 -43.27 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.133 0.492 . . . . 0.0 109.823 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.506 ' NE2' HD13 ' A' ' 61' ' ' LEU . 21.9 mm-40 -60.27 -44.02 95.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.734 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -74.87 -12.57 60.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.519 -175.243 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.429 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 1.7 mt -89.54 -16.89 29.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.961 0.41 . . . . 0.0 110.503 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.716 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 89.7 t -60.09 -57.07 29.41 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.069 -177.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.716 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 35.3 Cg_exo -61.9 -36.73 70.73 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.532 2.154 . . . . 0.0 112.772 -176.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -47.45 85.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.976 0.417 . . . . 0.0 110.559 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.508 ' HG3' HD13 ' A' ' 121' ' ' LEU . 16.8 tpt180 -69.57 -34.55 74.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.929 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -63.9 -32.48 74.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 110.034 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -76.33 -43.2 42.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.182 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.58 -35.96 82.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.556 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.566 ' HB3' HD13 ' A' ' 51' ' ' ILE . 18.5 mt -67.42 -53.77 26.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.195 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.689 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -64.91 -34.26 77.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.774 -175.122 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -52.3 66.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.575 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -74.91 -33.93 62.07 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.127 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.689 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -61.55 -31.81 71.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.339 . . . . 0.0 110.73 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.513 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 3.3 m -87.34 8.18 25.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.02 0.438 . . . . 0.0 111.011 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -109.37 -13.15 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.023 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.732 ' HG3' HG13 ' A' ' 47' ' ' ILE . 70.0 mm-40 -87.61 -43.67 11.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.42 0.629 . . . . 0.0 111.271 -175.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.597 ' HG2' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.294 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.434 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.439 0.162 . . . . 0.0 110.803 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -41.85 85.95 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pp -84.18 -5.49 9.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.227 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -85.3 -18.73 33.02 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.793 172.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 65.3 mm-40 -88.1 -29.32 20.7 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -38.21 87.51 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 112.957 -1.928 . . . . 0.0 109.395 169.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -53.79 -32.34 52.2 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.945 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.674 HD11 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -61.26 -40.31 93.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.568 -179.161 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.73 -30.83 70.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.896 0.379 . . . . 0.0 110.201 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.469 ' CD1' HG22 ' A' ' 96' ' ' THR . 2.0 t80 -69.9 -47.86 60.86 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 175.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.588 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -64.89 -32.74 74.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.49 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -11.76 56.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.921 0.391 . . . . 0.0 111.015 -174.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.493 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -109.01 -39.94 5.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.355 178.308 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -71.29 -17.16 62.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.099 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.84 -59.69 2.8 Favored Pre-proline 0 C--N 1.33 -0.268 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.85 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.39 -23.24 38.25 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.277 1.318 . . . . 0.0 111.555 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.6 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.7 t80 -72.82 -41.47 64.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.516 ' OD1' ' HE2' ' A' ' 106' ' ' LYS . 3.1 t30 -74.08 -20.87 60.14 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.499 0.666 . . . . 0.0 109.934 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.93 -44.48 31.35 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.905 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -59.23 -51.56 69.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.645 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.54 ' HE3' ' O ' ' A' ' 103' ' ' ILE . 2.2 mmt -55.4 -41.88 73.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.458 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.56 -44.85 66.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.091 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.7 m -66.45 -38.33 87.12 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.609 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.81 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 10.6 ttm -66.18 -29.27 69.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.397 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -68.53 -46.07 70.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.596 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.97 -43.14 95.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.996 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -33.66 75.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.153 -178.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -81.52 -35.23 30.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.696 -178.051 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.42 139.37 58.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.546 -174.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.23 111.39 20.97 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.395 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -78.65 136.48 37.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.343 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 40' ' ' ILE . 9.0 tp -110.47 133.01 57.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.486 HG12 HD11 ' A' ' 50' ' ' LEU . 33.2 m -125.13 151.31 30.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.102 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -118.95 -41.88 2.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.314 0.578 . . . . 0.0 109.452 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.87 171.45 10.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.996 -175.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.604 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.78 -26.85 31.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.384 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.536 ' N ' HG13 ' A' ' 44' ' ' ILE . 1.3 mt-10 -52.28 -44.79 65.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.178 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -71.31 -37.27 71.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.593 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.633 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -70.15 -21.09 23.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 109.948 179.241 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.54 9.39 18.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.913 172.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.08 -62.89 0.3 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.504 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -75.53 -4.42 39.73 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -175.522 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.722 HG12 ' HB3' ' A' ' 121' ' ' LEU . 15.7 mt -88.63 -43.5 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -31.13 71.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 178.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.41 -34.95 76.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.688 175.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -83.27 -25.22 31.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.356 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -67.94 -51.82 43.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -65.21 -23.51 67.1 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.631 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -62.54 -33.56 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.038 175.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.599 ' HE3' HD11 ' A' ' 61' ' ' LEU . 3.2 mmmm -71.6 -17.64 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.629 177.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.46 -31.91 17.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.461 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.13 -25.43 58.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.884 0.373 . . . . 0.0 111.022 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.599 HD11 ' HE3' ' A' ' 58' ' ' LYS . 2.9 mt -57.08 -55.89 39.25 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -176.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.6 Cg_endo -54.28 -33.05 74.14 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.38 2.054 . . . . 0.0 113.582 -176.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -81.59 -45.64 15.56 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.823 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.47 75.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.121 0.486 . . . . 0.0 110.669 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -61.06 -48.41 81.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.82 175.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -43.05 99.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.683 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.53 -36.43 83.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.249 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.6 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -58.75 -39.78 81.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.001 0.429 . . . . 0.0 110.406 178.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -73.74 -34.11 64.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.251 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.67 -10.91 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.092 0.472 . . . . 0.0 110.875 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.659 ' HA ' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -88.98 -40.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 176.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.79 -29.91 71.06 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.348 173.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.97 99.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.99 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.659 HD11 ' HA ' ' A' ' 71' ' ' ILE . 10.1 mt -63.18 -44.39 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.726 . . . . 0.0 110.208 177.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.506 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -69.57 -16.92 63.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.292 -176.144 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -51.41 70.07 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.26 0.552 . . . . 0.0 109.925 176.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.428 ' HA ' ' HD2' ' A' ' 80' ' ' ARG . 1.1 mp0 -75.04 -33.09 61.71 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.211 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.15 -4.55 55.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.809 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.506 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -115.53 -34.29 4.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.523 0.201 . . . . 0.0 111.119 177.574 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 77' ' ' GLU . 11.1 ptm180 -56.0 -30.46 61.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.79 -176.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.9 pp -67.61 -36.06 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.875 0.369 . . . . 0.0 110.631 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.97 -22.3 36.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.122 0.487 . . . . 0.0 110.393 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 51.0 mm-40 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.251 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.674 ' CD2' HD11 ' A' ' 15' ' ' LEU . 2.6 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.011 0.434 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.588 ' HB ' ' HA ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -126.26 88.21 2.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 0.0 111.08 -175.126 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 61.0 m -60.61 -24.48 65.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.45 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.544 HG22 HD11 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -55.17 128.46 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.742 177.033 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.53 160.19 28.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.343 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.477 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 9.3 Cg_endo -52.94 -41.21 72.72 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.94 2.427 . . . . 0.0 112.415 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -69.85 -36.64 75.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.348 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 103' ' ' ILE . 1.1 mp -62.18 -43.07 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.3 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.614 HG23 ' N ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -79.28 -34.88 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.326 -177.804 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.614 ' N ' HG23 ' A' ' 103' ' ' ILE . 1.3 m-20 -72.2 -44.11 63.49 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.891 -179.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.5 m -63.81 -33.15 75.03 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.019 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.516 ' HE2' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -64.34 -45.22 88.78 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.864 0.364 . . . . 0.0 110.618 177.04 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -60.28 -41.22 92.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.216 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -40.05 93.52 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.367 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -64.87 -43.39 93.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.289 176.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.454 ' O ' HG21 ' A' ' 114' ' ' VAL . 40.1 t -59.11 -48.8 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.373 177.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -56.18 -49.26 74.51 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.788 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -71.57 -16.03 62.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.687 -174.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.457 ' HG ' HE21 ' A' ' 112' ' ' GLN . 0.7 OUTLIER -91.44 -14.62 30.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.824 0.345 . . . . 0.0 110.692 179.177 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.454 HG21 ' O ' ' A' ' 110' ' ' VAL . 48.4 t -60.91 -57.46 26.29 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.517 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.59 -30.11 70.45 Favored 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.179 1.92 . . . . 0.0 112.501 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -53.38 49.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.029 0.442 . . . . 0.0 110.382 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.512 ' HG3' HD13 ' A' ' 121' ' ' LEU . 2.8 tpt180 -69.06 -32.79 72.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.416 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -34.7 77.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.083 0.468 . . . . 0.0 109.844 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -76.33 -44.91 34.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.936 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.21 89.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.722 ' HB3' HG12 ' A' ' 51' ' ' ILE . 22.1 mt -66.08 -51.55 57.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.81 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.17 -43.77 98.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.284 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -39.28 88.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 110.893 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -47.06 61.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.075 -178.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.533 ' HA ' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -67.97 -22.22 65.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.637 178.653 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.5 m -78.48 -25.18 45.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.964 0.412 . . . . 0.0 110.171 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -19.24 61.35 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 109.899 173.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -104.8 -147.84 0.4 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.003 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.197 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.23 -42.81 54.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.192 0.52 . . . . 0.0 110.258 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.712 ' HA ' HD23 ' A' ' 13' ' ' LEU . 1.1 pt -77.6 -13.17 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.168 -178.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.4 t0 -71.14 -20.81 62.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 173.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -75.06 -34.73 61.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.373 177.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.712 HD23 ' HA ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -85.05 -16.55 40.31 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 175.374 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 3.6 m170 -57.03 -31.75 65.46 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 171.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.731 HD11 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -63.13 -39.42 94.63 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.992 178.467 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -36.68 85.09 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.296 0.569 . . . . 0.0 110.131 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.514 ' CD1' HG22 ' A' ' 96' ' ' THR . 2.4 t80 -64.18 -48.37 76.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.768 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.658 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -65.7 -30.32 70.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.325 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HE2' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -79.02 -23.15 44.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.349 -176.71 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.708 ' HB3' HD11 ' A' ' 71' ' ' ILE . 8.7 mtt180 -104.29 -34.75 8.22 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.571 -177.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -67.1 -23.7 65.86 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.55 -60.14 6.03 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.681 -176.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -67.79 -27.43 37.64 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.761 1.641 . . . . 0.0 111.718 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -39.53 78.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.514 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 1.5 t-20 -71.19 -27.25 63.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.844 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -68.27 -43.47 77.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.393 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -68.36 -51.3 45.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.371 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.699 ' HE2' ' HB2' ' A' ' 107' ' ' TRP . 3.6 mtt -54.49 -46.06 73.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.844 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -48.36 70.81 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.839 -178.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 m -65.87 -39.14 90.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.062 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.37 18.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.093 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.501 ' HE3' HG22 ' A' ' 110' ' ' VAL . 34.9 ttm -56.05 -45.12 79.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.267 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 7.0 mm-40 -73.42 -29.17 62.4 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -176.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.73 -34.87 60.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.071 0.462 . . . . 0.0 109.956 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mp -67.78 -34.77 77.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.986 -173.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -90.91 -18.81 24.12 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 33' ' ' GLU . 6.6 t0 -67.46 159.02 30.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.208 0.528 . . . . 0.0 111.721 -173.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -80.87 101.66 9.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.323 -177.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -78.23 138.24 38.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.852 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.0 tp -115.85 130.0 71.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.447 0.642 . . . . 0.0 110.569 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.487 ' CG1' HD13 ' A' ' 50' ' ' LEU . 3.3 m -127.08 155.98 38.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.742 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -102.89 -61.58 1.38 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.988 0.423 . . . . 0.0 110.322 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.87 171.74 7.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.482 -175.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -31.5 53.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-O 121.123 0.487 . . . . 0.0 110.736 177.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.13 -40.06 67.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.071 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.41 -40.46 77.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.165 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.548 HD13 ' HG3' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -62.14 -33.74 60.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.238 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -16.79 64.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.947 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.11 -44.71 1.24 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.572 176.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.487 HD13 ' CG1' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -58.74 -50.01 75.5 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 123.806 0.842 . . . . 0.0 111.396 -179.013 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.609 HG12 ' HB3' ' A' ' 121' ' ' LEU . 31.0 mt -65.54 -36.04 76.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.975 0.417 . . . . 0.0 110.434 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -64.47 -21.8 66.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.248 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.72 65.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.071 0.462 . . . . 0.0 110.251 175.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 14.1 t60 -91.93 -28.94 16.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.593 174.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.51 -54.62 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.551 175.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.97 -21.11 64.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.121 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.417 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 26.2 t80 -66.42 -33.85 76.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.227 175.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.03 -17.64 63.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.664 175.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.54 -27.67 17.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.608 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.88 -19.32 52.2 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 111.218 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.438 HD13 ' HE3' ' A' ' 58' ' ' LYS . 3.0 mt -57.94 -54.9 50.69 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -177.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 14.8 Cg_endo -57.22 -30.07 85.98 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.084 1.856 . . . . 0.0 112.772 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -73.92 -50.1 21.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.243 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HB3' ' CZ3' ' A' ' 107' ' ' TRP . . . -68.18 -33.32 74.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.114 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.74 -41.62 95.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.107 0.48 . . . . 0.0 110.08 177.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -43.75 91.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.618 178.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.63 -41.21 85.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.244 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.485 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -63.0 -34.96 78.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.583 0.23 . . . . 0.0 110.918 -178.164 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.74 -32.3 31.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.735 0.302 . . . . 0.0 110.505 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.67 -21.75 61.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.414 0.626 . . . . 0.0 110.53 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.708 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -82.83 -38.57 14.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.744 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mt -65.44 -32.36 73.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.675 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -64.14 -45.86 86.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.689 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.05 -40.08 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.295 0.569 . . . . 0.0 110.525 176.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.674 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -75.66 -13.64 60.33 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -178.749 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -64.16 -44.7 91.31 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -35.03 44.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.444 0.64 . . . . 0.0 109.844 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.65 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -80.93 -0.12 37.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.775 -175.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.626 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -122.25 -35.6 3.1 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 176.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -27.15 65.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.835 0.35 . . . . 0.0 111.42 -175.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pp -71.88 -31.07 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.292 0.568 . . . . 0.0 110.394 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.45 -16.06 35.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.842 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 10.5 mm-40 . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.336 178.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.731 ' CD2' HD11 ' A' ' 15' ' ' LEU . 3.9 m-85 . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.668 0.271 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.658 ' HB ' ' HA ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -120.39 88.52 2.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.049 0.452 . . . . 0.0 110.803 -174.087 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.4 m -54.61 -33.94 61.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.306 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -51.61 125.55 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.87 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.03 159.26 30.66 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.557 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.674 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 11.5 Cg_endo -54.94 -42.66 66.86 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.219 2.613 . . . . 0.0 112.445 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -68.08 -36.64 80.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.991 0.425 . . . . 0.0 110.175 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -63.09 -38.08 81.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.474 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.593 HG22 ' N ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -83.28 -34.9 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.212 -179.674 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.593 ' N ' HG22 ' A' ' 103' ' ' ILE . 1.3 t-20 -70.49 -51.49 28.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.594 0.235 . . . . 0.0 111.27 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.9 m -67.33 -23.96 65.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 111.132 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.502 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 2.4 mttt -70.83 -42.19 70.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 0.0 110.027 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.699 ' HB2' ' HE2' ' A' ' 28' ' ' MET . 54.0 t-105 -58.39 -41.95 86.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.972 175.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.4 -41.03 93.0 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.428 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.519 ' O ' HD12 ' A' ' 113' ' ' LEU . 19.7 mttm -66.22 -28.54 68.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.769 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.501 HG22 ' HE3' ' A' ' 32' ' ' MET . 2.2 t -72.48 -45.16 60.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.135 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -62.37 -43.71 98.17 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.131 -176.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -22.63 67.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.579 -176.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.5 mt -89.48 -12.89 38.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 110' ' ' VAL . 99.5 t -65.86 -56.54 17.17 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 119.05 -0.5 . . . . 0.0 112.191 -175.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.91 -32.38 55.0 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.016 1.811 . . . . 0.0 112.258 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.2 -46.62 76.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.192 0.52 . . . . 0.0 110.051 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.527 ' HG3' HD11 ' A' ' 121' ' ' LEU . 4.8 tpt180 -65.71 -37.67 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.415 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -36.98 66.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 175.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -78.95 -39.9 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.87 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.2 86.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.087 0.47 . . . . 0.0 110.57 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.609 ' HB3' HG12 ' A' ' 51' ' ' ILE . 12.8 mt -66.61 -46.42 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.709 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.774 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -64.32 -38.36 90.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.403 -179.122 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -42.82 86.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.036 0.446 . . . . 0.0 110.67 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.548 ' HG3' HD13 ' A' ' 47' ' ' ILE . 7.2 tp10 -71.07 -47.0 60.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.588 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.774 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -67.02 -20.78 65.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.475 -176.852 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.1 m -80.73 -12.36 59.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.995 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -93.77 -8.98 39.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.316 0.579 . . . . 0.0 109.819 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -84.89 -132.02 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.464 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.244 178.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--O 1.231 0.121 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.44 78.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.239 0.542 . . . . 0.0 110.53 -175.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.534 HD12 HD13 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -93.62 -7.88 10.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.691 -177.797 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 2.9 t0 -80.54 -27.38 37.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -67.37 -34.54 77.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.101 171.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.429 HD11 ' HB3' ' A' ' 77' ' ' GLU . 37.3 mt -69.34 -33.76 73.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.493 173.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 39.7 m170 -61.54 -39.07 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 174.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.706 HD12 ' CD2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.84 -44.88 96.37 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.175 176.15 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.24 -32.85 74.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.593 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -70.63 -45.82 64.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.88 -23.95 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.615 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -22.13 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.486 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.472 ' HB3' HD12 ' A' ' 71' ' ' ILE . 4.4 mtm180 -105.43 -33.67 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.627 -176.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -74.79 -18.28 60.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.641 0.258 . . . . 0.0 110.33 177.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.85 -56.55 11.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.465 -177.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.52 -28.42 32.02 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 121.515 1.477 . . . . 0.0 111.904 177.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -66.72 -43.51 84.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.849 0.357 . . . . 0.0 110.103 177.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.3 t-20 -68.75 -30.21 68.78 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.31 0.576 . . . . 0.0 109.903 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.1 -38.07 75.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.474 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -66.71 -48.02 70.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.539 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 53.2 mtm -60.16 -41.99 93.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.198 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 4.7 mm-40 -70.98 -18.24 62.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.293 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 m -93.55 -41.91 9.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.016 0.436 . . . . 0.0 110.135 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.37 -56.09 5.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.765 -176.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.519 ' HE3' ' HG2' ' A' ' 106' ' ' LYS . 1.4 ttm -62.68 -35.19 78.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.652 -177.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -71.04 -39.81 72.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.453 -178.524 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -73.03 -37.34 66.95 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.66 -31.37 71.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -79.33 -40.57 30.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.453 176.055 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.4 133.75 56.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.357 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.78 110.06 15.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 110.613 -177.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -69.04 129.76 40.83 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.16 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 tp -107.17 131.64 56.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.449 ' CG1' HD23 ' A' ' 50' ' ' LEU . 3.0 m -126.56 98.09 4.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.516 0.674 . . . . 0.0 110.243 -177.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -75.58 -22.62 56.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.28 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -134.29 155.05 50.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.738 -177.885 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.517 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -75.07 -21.66 16.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.084 0.469 . . . . 0.0 110.738 -177.379 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -59.49 -37.1 77.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.924 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 43' ' ' THR . 1.1 pt-20 -85.58 -10.35 56.02 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.466 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.749 ' O ' HG12 ' A' ' 51' ' ' ILE . 28.6 mt -69.96 -46.99 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -61.94 -30.74 71.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.199 0.523 . . . . 0.0 110.344 -178.463 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.32 -43.22 21.03 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.449 HD23 ' CG1' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -55.66 -44.37 77.18 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.543 0.337 . . . . 0.0 111.315 176.634 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.749 HG12 ' O ' ' A' ' 47' ' ' ILE . 9.0 mm -63.93 -47.03 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.729 0.3 . . . . 0.0 110.339 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -62.7 -30.42 71.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.03 71.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.047 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -88.13 -25.66 22.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 110.121 177.215 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.37 -53.52 42.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.278 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -67.28 -24.18 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.192 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 46.0 t80 -65.84 -37.96 87.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.825 178.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.518 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.51 -11.37 60.77 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.701 176.318 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.99 -28.85 14.45 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.706 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -25.64 50.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.868 0.366 . . . . 0.0 110.795 173.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.45 HD22 ' CH2' ' A' ' 107' ' ' TRP . 1.6 mt -54.55 -57.31 19.4 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.63 -177.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 13.7 Cg_endo -57.01 -33.37 95.53 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.927 1.751 . . . . 0.0 112.415 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -69.84 -49.98 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.063 0.459 . . . . 0.0 110.462 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.23 -30.34 66.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.906 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.21 -46.36 88.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.083 0.468 . . . . 0.0 110.623 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -69.42 -29.9 67.72 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.359 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.22 -38.16 87.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.569 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -32.58 72.38 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.251 0.548 . . . . 0.0 110.413 177.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -43.58 28.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.249 177.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.92 -21.24 64.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.89 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -82.64 -37.24 14.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.527 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.728 HD21 ' HB3' ' A' ' 100' ' ' PRO . 1.5 mt -71.09 -20.91 62.29 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.424 174.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.67 -41.66 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.217 175.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.3 mt -65.39 -45.24 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.14 175.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -20.6 64.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.429 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -78.37 -31.71 48.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.078 0.466 . . . . 0.0 110.173 -179.401 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.88 -7.92 57.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.928 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -111.37 -37.72 5.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.41 174.415 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -48.52 -45.08 36.74 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 121.459 0.647 . . . . 0.0 111.911 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.534 HD13 HD12 ' A' ' 10' ' ' ILE . 1.4 pp -51.25 -47.21 33.65 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.963 176.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.17 -22.45 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 111.067 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 10.2 mm-40 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.987 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.706 ' CD2' HD12 ' A' ' 15' ' ' LEU . 9.1 m-85 . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 96' ' ' THR . 1.1 m -128.79 96.38 4.36 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.1 m -80.71 68.28 6.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.545 0.688 . . . . 0.0 111.656 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.54 HG11 HG21 ' A' ' 96' ' ' THR . 1.4 m -125.98 152.58 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.898 174.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.527 ' HB ' ' HD2' ' A' ' 100' ' ' PRO . 23.0 p -110.06 167.52 8.97 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.607 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.728 ' HB3' HD21 ' A' ' 72' ' ' LEU . 17.1 Cg_endo -59.04 -24.69 74.68 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.505 2.137 . . . . 0.0 111.132 173.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -75.09 -49.01 21.04 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.714 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.424 HG22 ' HB ' ' A' ' 98' ' ' VAL . 4.4 mt -54.77 -49.31 69.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 104' ' ' ASN . 1.1 tp -65.01 -38.36 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.944 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.3 t-20 -83.36 -46.38 12.64 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.3 m -65.99 -35.49 80.73 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.302 -0.159 . . . . 0.0 111.096 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.519 ' HG2' ' HE3' ' A' ' 32' ' ' MET . 9.8 mtpp -65.66 -39.75 91.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.525 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.8 t-105 -61.33 -44.22 97.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.472 175.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -42.64 98.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.548 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -64.73 -38.1 89.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.635 178.277 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.631 ' O ' HG23 ' A' ' 114' ' ' VAL . 3.2 t -58.83 -49.12 84.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.982 176.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 79.4 mm-40 -60.92 -45.51 94.35 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.007 -176.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.8 pt20 -69.45 -22.58 63.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -175.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -8.45 56.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.186 0.517 . . . . 0.0 110.774 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 110' ' ' VAL . 55.0 t -67.32 -56.7 12.2 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.726 -178.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' ' 119' ' ' HIS . 35.4 Cg_endo -65.52 -29.34 52.96 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.924 1.749 . . . . 0.0 111.722 177.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -63.21 -48.86 76.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.203 0.525 . . . . 0.0 109.999 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.511 ' HG3' HD11 ' A' ' 121' ' ' LEU . 2.0 tpt180 -66.5 -42.69 87.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.618 177.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -61.12 -29.27 69.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.201 0.524 . . . . 0.0 110.641 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 115' ' ' PRO . 1.5 t-160 -76.87 -46.13 25.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.795 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.83 76.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.811 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.511 HD11 ' HG3' ' A' ' 117' ' ' ARG . 19.1 mt -61.04 -51.93 67.09 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.737 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.537 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.4 OUTLIER -67.03 -39.32 86.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.576 178.346 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -63.48 -39.32 94.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.761 179.276 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -51.83 54.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.954 178.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.537 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.4 pt20 -64.01 -23.82 67.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.49 -12.78 60.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 111.16 178.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 123' ' ' GLU . 17.8 mttm -92.38 -12.83 31.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.182 0.515 . . . . 0.0 109.873 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -102.65 -128.89 0.23 Allowed 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.788 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.135 -0.936 . . . . 0.0 109.828 -178.617 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 0.7 OUTLIER . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 120.699 0.285 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.46 82.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.104 0.478 . . . . 0.0 110.184 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pp -81.81 -16.32 12.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.695 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.4 t70 -79.82 -26.5 40.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 21.3 mm-40 -74.5 -11.25 60.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.733 176.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -107.91 -5.05 17.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.148 0.499 . . . . 0.0 109.843 169.824 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -60.97 -36.39 79.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.218 174.213 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.768 HD11 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -80.25 -19.62 46.4 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.87 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.616 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.1 tp10 -64.82 -42.74 94.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.843 175.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.54 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -60.45 -44.82 95.46 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 173.311 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.52 -18.97 62.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.643 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -33.68 40.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.811 0.338 . . . . 0.0 110.608 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.426 ' HD2' ' OE2' ' A' ' 16' ' ' GLU . 3.8 mtp180 -89.26 -32.29 17.46 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.678 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -68.88 -20.11 64.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.11 -59.51 8.6 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.428 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.61 -25.2 34.73 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 121.685 1.59 . . . . 0.0 111.977 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.59 -40.58 69.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 110.324 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.9 t-20 -72.3 -27.96 62.79 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.39 0.614 . . . . 0.0 109.725 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -67.92 -42.1 81.57 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.19 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -68.35 -52.1 36.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.254 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.537 ' HE2' HG13 ' A' ' 103' ' ' ILE . 21.3 mtm -56.25 -44.8 80.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.348 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -65.95 -44.37 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.955 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -70.96 -39.27 72.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.73 0.3 . . . . 0.0 110.722 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.05 -45.82 66.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.942 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.515 ' HE3' ' HD3' ' A' ' 106' ' ' LYS . 12.7 ttm -62.2 -34.82 77.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.448 . . . . 0.0 110.334 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -72.23 -46.29 56.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.379 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -66.26 -38.86 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.01 0.433 . . . . 0.0 110.064 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 4.4 mp -72.21 -18.3 61.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.881 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -92.36 -38.94 11.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.427 -179.408 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -83.6 162.8 20.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.12 -175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.72 118.65 24.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.072 -176.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -70.23 144.88 51.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.791 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 40' ' ' ILE . 10.6 tp -109.81 131.34 61.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.403 0.62 . . . . 0.0 110.577 177.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.5 HG11 HD21 ' A' ' 50' ' ' LEU . 25.6 m -127.36 160.98 35.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.655 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -122.42 -40.77 2.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.092 0.472 . . . . 0.0 109.929 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -125.52 165.9 17.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.174 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.514 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -65.22 -26.26 39.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 121.063 0.458 . . . . 0.0 110.243 177.887 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.514 ' N ' HG13 ' A' ' 44' ' ' ILE . 12.5 mt-10 -62.83 -44.23 96.7 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.998 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -72.04 -32.85 67.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.773 0.32 . . . . 0.0 110.311 176.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.571 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -63.6 -35.9 74.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.951 178.676 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.89 -35.21 62.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.895 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.9 -32.44 73.62 Favored Glycine 0 CA--C 1.51 -0.262 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.59 ' HB3' HD21 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -59.06 -42.88 91.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.027 -0.587 . . . . 0.0 109.994 172.138 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.0 mm -66.29 -41.8 89.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.556 176.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 m -58.01 -40.38 80.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.874 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.438 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . . . -65.04 -25.64 67.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.914 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -85.09 -29.07 25.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.619 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.11 -49.75 59.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' HG2' ' HA ' ' A' ' 53' ' ' ALA . 2.7 pt20 -65.85 -22.93 66.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.209 0.528 . . . . 0.0 110.186 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -65.99 -38.05 87.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.495 174.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -74.1 -10.28 59.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 176.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m -89.92 -35.8 15.38 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.307 0.575 . . . . 0.0 109.714 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.9 m -78.65 -22.87 46.23 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.793 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -59.03 11.29 Favored Pre-proline 0 C--O 1.22 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.031 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.98 -29.29 75.54 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.051 1.834 . . . . 0.0 112.258 -178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -49.78 39.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.284 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.72 -26.31 61.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.472 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -60.25 -47.5 85.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.909 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -64.23 -37.59 88.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.116 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.21 -31.5 72.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.605 -179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -61.48 -34.42 75.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.86 0.362 . . . . 0.0 110.736 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -24.57 18.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.38 178.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.87 -8.15 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 110.504 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.26 -39.83 11.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.162 -0.926 . . . . 0.0 108.782 176.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.889 HD23 ' HD1' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -71.19 -22.65 62.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.018 173.627 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.75 -41.57 64.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.26 -39.54 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.703 0.764 . . . . 0.0 109.86 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.889 ' HD1' HD23 ' A' ' 72' ' ' LEU . 11.7 t-160 -58.1 -37.62 74.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.456 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 72' ' ' LEU . 1.1 mmmp? -55.03 -43.08 73.4 Favored 'General case' 0 C--N 1.311 -1.106 0 O-C-N 123.776 0.673 . . . . 0.0 110.794 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -36.33 73.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 110.428 -177.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.3 -12.68 42.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.564 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -94.99 -36.58 11.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.008 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -65.57 -24.94 67.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.3 pp -71.97 -31.76 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.824 0.345 . . . . 0.0 110.651 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.23 -16.78 48.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.38 0.61 . . . . 0.0 110.209 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.378 176.749 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.768 ' CE2' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.097 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -83.5 71.78 10.3 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.416 -178.267 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.92 42.92 0.66 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 122.541 1.162 . . . . 0.0 110.618 175.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.434 ' H ' ' C ' ' A' ' 96' ' ' THR . 0.2 OUTLIER -137.95 106.78 4.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 CA-C-N 113.891 -1.504 . . . . 0.0 109.774 -178.168 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.49 154.05 73.85 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.429 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 9.5 Cg_endo -53.35 -39.6 80.87 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.888 2.392 . . . . 0.0 112.208 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -70.03 -34.21 72.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.246 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.89 -44.18 96.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.346 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.537 HG13 ' HE2' ' A' ' 28' ' ' MET . 1.9 tt -76.81 -36.58 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 111.432 -177.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.475 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 0.6 OUTLIER -75.47 -45.91 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.732 0.301 . . . . 0.0 111.136 -176.798 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 39.9 m -69.82 -23.91 63.38 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.161 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.515 ' HD3' ' HE3' ' A' ' 32' ' ' MET . 3.2 mttm -74.97 -38.34 61.69 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -59.81 -42.67 93.97 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 171.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -34.31 76.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.72 178.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -66.82 -38.76 87.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.97 0.414 . . . . 0.0 110.143 175.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 114' ' ' VAL . 54.6 t -61.88 -45.25 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.162 175.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.42 -20.72 66.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.154 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -27.86 27.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.478 HD22 ' HG3' ' A' ' 36' ' ' GLN . 3.2 mt -92.34 -17.57 24.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.649 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 16.0 t -56.46 -54.17 56.21 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.228 176.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.649 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 23.7 Cg_exo -65.83 -25.31 53.17 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.494 2.13 . . . . 0.0 112.169 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -54.02 35.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 109.656 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.55 ' HG3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -68.88 -31.52 70.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.535 177.74 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.429 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 0.2 OUTLIER -61.9 -33.96 75.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.272 0.558 . . . . 0.0 109.794 178.563 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -87.59 -39.82 14.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.444 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.38 -35.57 77.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.507 177.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 50' ' ' LEU . 21.4 mt -71.15 -51.23 26.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.733 177.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -45.26 83.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.749 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -31.51 72.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.812 0.339 . . . . 0.0 111.076 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.491 ' CD ' ' HZ1' ' A' ' 127' ' ' LYS . 15.9 tp10 -83.8 -48.18 10.35 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.057 -178.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -24.64 67.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.706 -175.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.6 m -87.13 -2.71 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.318 . . . . 0.0 111.439 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.491 ' HZ1' ' CD ' ' A' ' 124' ' ' GLU . 0.5 OUTLIER -105.18 -5.13 20.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.216 0.531 . . . . 0.0 110.176 176.215 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.41 ' HB3' HG22 ' A' ' 44' ' ' ILE . 2.6 mt-30 -100.71 -47.82 4.71 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.658 0.742 . . . . 0.0 110.447 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.305 -1.353 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.054 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.899 -0.48 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.34 119.57 11.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.809 0.338 . . . . 0.0 110.829 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.627 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -54.96 -38.79 68.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.922 -177.745 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 1.8 mp0 -53.91 -32.81 54.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 112.038 -175.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -84.38 -29.92 25.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.072 0.463 . . . . 0.0 110.042 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.577 ' O ' HG12 ' A' ' 10' ' ' ILE . 2.2 mm-40 -76.32 -19.87 57.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.327 178.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 3' ' ' THR . 6.9 mt -92.01 -40.25 11.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.935 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.526 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 6.8 tt0 -61.96 -41.7 98.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.26 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 -25.77 62.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.043 0.449 . . . . 0.0 111.051 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.577 HG12 ' O ' ' A' ' 6' ' ' GLN . 1.1 pt -101.75 -6.02 9.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.203 0.525 . . . . 0.0 110.942 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 1.1 t0 -77.43 -31.02 53.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.362 0.601 . . . . 0.0 109.687 176.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.417 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 62.4 mm-40 -68.47 -20.64 64.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.82 172.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.87 HD13 ' HB3' ' A' ' 77' ' ' GLU . 26.8 mt -82.6 -36.42 26.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -59.42 -31.14 69.0 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 171.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.681 HD22 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -60.12 -47.77 84.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.983 178.341 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.78 -28.75 62.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.501 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.435 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 2.6 t80 -67.12 -47.54 70.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.497 ' HA ' HG22 ' A' ' 96' ' ' THR . . . -65.38 -29.14 69.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.152 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -32.61 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.473 -177.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -98.95 -31.24 11.92 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.55 -177.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.2 -20.67 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.655 0.264 . . . . 0.0 110.575 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.41 -58.42 10.37 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.81 -176.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -68.16 -31.03 30.42 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.443 1.428 . . . . 0.0 111.567 178.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.452 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.2 t80 -66.67 -40.48 88.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.702 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -69.67 -28.13 65.61 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.411 0.624 . . . . 0.0 110.075 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.9 -40.24 48.1 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.307 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -64.63 -51.19 63.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.239 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.511 ' O ' ' HB2' ' A' ' 32' ' ' MET . 25.6 mtm -58.29 -39.93 80.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.788 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.26 -51.7 49.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.057 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -60.84 -41.13 95.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.147 0.499 . . . . 0.0 110.64 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.34 75.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.833 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.511 ' HB2' ' O ' ' A' ' 28' ' ' MET . 7.1 ttm -62.91 -35.82 81.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.444 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.96 -47.96 78.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.422 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -72.28 -34.65 68.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.357 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.17 -30.89 63.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.811 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -70.1 -44.5 68.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.53 178.549 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -70.22 135.32 48.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.906 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 6.6 tpt -74.16 120.82 20.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.909 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -72.89 138.91 46.51 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.693 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.597 ' O ' HG21 ' A' ' 40' ' ' ILE . 4.4 tp -117.28 131.84 68.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.953 173.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.87 HG21 HG12 ' A' ' 47' ' ' ILE . 4.4 m -125.34 152.99 32.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.376 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -107.7 -65.52 1.1 Allowed 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.687 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -98.04 168.1 10.49 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.214 -174.282 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.427 HG23 ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -66.42 -37.75 80.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.137 -176.227 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.687 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 1.4 mp0 -54.79 -33.1 61.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.703 177.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -79.46 -30.86 42.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.922 0.391 . . . . 0.0 110.553 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.87 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -70.05 -34.16 58.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.187 -179.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 1.5 pt-20 -81.45 -35.66 30.31 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.36 -34.78 90.3 Favored Glycine 0 C--N 1.328 0.125 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.748 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.501 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -65.98 -37.8 86.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.347 0.594 . . . . 0.0 110.189 175.339 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 47' ' ' ILE . 12.9 mt -69.16 -37.48 76.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.839 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 m -59.56 -30.97 69.01 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.953 0.406 . . . . 0.0 110.919 174.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.82 -22.81 65.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.24 0.543 . . . . 0.0 110.607 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.81 -26.83 19.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.799 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.91 -56.24 23.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.673 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -67.27 -18.64 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.717 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -74.7 -40.15 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.37 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.601 ' HE3' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.63 -14.92 63.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.653 178.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.83 -30.86 12.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.907 0.384 . . . . 0.0 110.649 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -27.82 32.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.601 HD11 ' HE3' ' A' ' 58' ' ' LYS . 2.2 mt -54.53 -57.62 17.94 Favored Pre-proline 0 C--O 1.222 -0.388 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.004 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.78 -27.92 85.28 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.861 1.707 . . . . 0.0 112.48 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -78.04 -48.67 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.427 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.94 -24.31 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.366 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.85 -47.81 81.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.101 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -68.44 -29.21 67.81 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.122 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.81 -43.44 98.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.558 176.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.47 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -62.05 -37.18 84.0 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.985 0.421 . . . . 0.0 110.524 178.601 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -72.53 -35.04 67.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.464 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.541 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . . . -73.32 -17.35 61.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.156 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.3 -37.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 72' ' ' LEU . 67.4 mt -70.12 -26.78 64.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.242 172.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 70' ' ' ALA . . . -67.44 -19.29 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.892 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.8 mt -88.9 -38.09 10.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.701 0.762 . . . . 0.0 109.626 173.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.435 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -70.22 -24.56 63.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.795 -176.815 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.45 ' HE3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -63.93 -34.43 77.95 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.894 0.378 . . . . 0.0 110.754 -178.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.87 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -77.62 -34.85 53.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.013 0.435 . . . . 0.0 110.543 179.069 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.502 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -87.43 -14.67 39.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.101 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -99.71 -31.25 11.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.166 -0.334 . . . . 0.0 111.698 -178.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -63.18 -26.07 68.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.938 -172.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pp -70.85 -33.01 50.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 0.0 110.36 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 87' ' ' ILE . . . -78.5 -23.36 46.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.275 0.56 . . . . 0.0 110.594 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 18.3 mm-40 -88.13 -9.19 53.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.191 -178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.0 p -116.53 -28.11 6.53 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.888 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -121.23 146.2 47.05 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.22 68.18 5.13 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.022 0.439 . . . . 0.0 110.592 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.448 ' CD1' ' HG ' ' A' ' 89' ' ' LEU . 1.1 pp -85.15 168.44 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.277 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.31 83.05 2.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.057 0.456 . . . . 0.0 110.886 -177.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.486 ' HA ' HD23 ' A' ' 89' ' ' LEU . 8.7 mt -73.55 141.52 46.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.119 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.07 61.99 6.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.035 0.445 . . . . 0.0 110.603 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.84 -140.85 15.1 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.137 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -48.8 11.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.756 0.313 . . . . 0.0 111.231 -178.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -160.41 146.08 11.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.103 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -80.39 -31.39 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.908 2.405 . . . . 0.0 113.51 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.681 ' CE2' HD22 ' A' ' 15' ' ' LEU . 18.6 m-85 -105.67 -41.68 5.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.697 0.284 . . . . 0.0 111.592 -172.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 18' ' ' ALA . 9.0 t -128.1 114.55 17.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.195 0.521 . . . . 0.0 110.532 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.87 68.76 6.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.5 0.667 . . . . 0.0 112.084 -174.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.06 126.58 56.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.193 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.429 ' HG1' HD12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -91.64 153.04 43.91 Favored Pre-proline 0 C--N 1.316 -0.848 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.69 -40.93 38.6 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.509 2.139 . . . . 0.0 112.283 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -68.09 -41.44 81.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.275 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.473 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.1 mp -59.58 -39.01 78.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -80.18 -32.93 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.708 0.29 . . . . 0.0 111.198 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.47 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 1.6 t-20 -75.22 -48.95 21.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.931 0.396 . . . . 0.0 111.021 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.3 m -67.52 -29.16 68.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.253 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 4.7 mttt -66.51 -40.53 89.26 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.44 ' CH2' HD23 ' A' ' 61' ' ' LEU . 69.3 t-105 -61.66 -42.5 98.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.092 174.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.98 -32.47 73.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.773 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.502 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 2.8 mttt -68.22 -42.35 79.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.0 110.134 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.444 ' O ' HG22 ' A' ' 114' ' ' VAL . 49.0 t -59.86 -47.36 91.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.473 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -63.21 -40.89 98.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.723 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 2.6 pt20 -69.0 -24.16 64.18 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.563 -177.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mt -86.21 -14.13 44.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 111.008 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.706 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 72.9 t -59.95 -57.26 28.1 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.858 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.706 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 25.1 Cg_exo -63.43 -39.91 34.18 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.547 2.165 . . . . 0.0 112.289 -177.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -53.52 -48.06 69.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.165 0.507 . . . . 0.0 110.738 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.518 ' HG3' HD12 ' A' ' 121' ' ' LEU . 0.8 OUTLIER -76.18 -37.09 58.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.809 -179.403 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.81 -29.76 70.74 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.292 0.567 . . . . 0.0 110.4 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -80.23 -47.37 14.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.577 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.48 87.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.893 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.518 HD12 ' HG3' ' A' ' 117' ' ' ARG . 18.6 mt -62.33 -52.32 64.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.742 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.0 OUTLIER -68.41 -33.56 74.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.639 -177.458 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.42 -44.15 79.48 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.334 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -43.13 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.742 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -66.87 -26.8 67.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.003 -178.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.3 m -84.57 -8.89 58.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.968 0.413 . . . . 0.0 111.296 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.29 6.37 37.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.119 0.485 . . . . 0.0 110.107 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.459 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 25.1 mm-40 -83.37 -128.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.728 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.459 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 1.4 pt20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.383 -0.817 . . . . 0.0 110.046 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.33 87.26 7.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.197 0.522 . . . . 0.0 111.01 -177.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.0 m -124.54 -42.22 2.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.939 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.954 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.4 -33.21 60.96 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.073 -179.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 34.8 mmtm -80.71 -26.45 37.45 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.224 0.535 . . . . 0.0 109.66 -176.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -71.99 -28.04 63.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.547 174.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.954 HD22 ' HA ' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -91.5 -31.21 16.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.695 178.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -68.98 -31.88 71.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.92 0.39 . . . . 0.0 110.549 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.22 -39.77 65.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.307 0.575 . . . . 0.0 109.956 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 HG23 HG23 ' A' ' 81' ' ' ILE . 1.1 pt -84.34 -5.33 9.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.497 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.569 ' O ' HD21 ' A' ' 15' ' ' LEU . 1.5 t0 -71.94 -24.35 61.61 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -73.22 -28.34 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.386 174.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -72.64 -34.36 67.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 170.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 33.5 m170 -62.19 -29.93 70.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.623 175.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.761 HD12 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -64.38 -44.9 89.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 175.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.85 -35.37 80.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.375 0.607 . . . . 0.0 110.088 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.598 ' HB3' HG22 ' A' ' 96' ' ' THR . 0.4 OUTLIER -68.83 -42.36 77.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.151 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.39 -13.85 60.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.383 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -27.21 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 0.0 111.134 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.464 ' O ' ' HD2' ' A' ' 23' ' ' PRO . 31.7 mtp85 -100.12 -42.06 6.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.759 0.314 . . . . 0.0 111.427 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 17' ' ' TYR . . . -73.93 -9.2 58.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.954 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.431 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -73.84 -55.53 3.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.639 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' ' 20' ' ' ARG . 19.6 Cg_exo -66.7 -30.14 42.11 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.739 1.626 . . . . 0.0 111.194 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -65.58 -42.69 91.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.537 177.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -72.03 -28.37 63.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.344 0.592 . . . . 0.0 109.93 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -73.55 -35.64 65.53 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.099 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -66.57 -50.64 62.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.607 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.7 mtt -55.59 -49.56 72.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.375 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -41.59 86.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.313 -177.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 m -78.71 -36.27 43.7 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.387 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.97 -52.18 9.83 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -175.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.569 ' HE2' ' HD2' ' A' ' 109' ' ' LYS . 0.7 OUTLIER -65.01 -36.81 85.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.837 0.351 . . . . 0.0 110.735 -176.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -41.18 86.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.237 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -68.43 -31.96 71.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.099 0.476 . . . . 0.0 110.26 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.448 ' HA ' ' NE ' ' A' ' 117' ' ' ARG . 3.6 mp -74.6 -36.84 63.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.858 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -36.42 42.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.932 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -75.47 151.57 38.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.107 0.48 . . . . 0.0 111.452 -175.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.94 104.58 6.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.578 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -64.12 136.16 57.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.199 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.3 tp -104.35 132.5 50.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.348 0.594 . . . . 0.0 109.968 175.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.434 HG13 HD21 ' A' ' 50' ' ' LEU . 33.3 m -126.92 156.16 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.877 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -118.98 -52.19 2.32 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.64 159.02 26.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.598 -172.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.86 HG13 ' HA ' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -52.88 -37.44 25.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.945 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -43.38 84.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.715 0.293 . . . . 0.0 111.479 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.71 -34.35 67.06 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.265 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.701 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -65.61 -38.42 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.616 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.32 -35.97 76.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.944 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.41 -37.29 62.75 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.644 ' HB3' HD21 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -55.63 -45.46 77.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.029 -0.585 . . . . 0.0 110.624 174.371 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.701 HG12 ' O ' ' A' ' 47' ' ' ILE . 1.4 mm -68.81 -41.03 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.627 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.6 m -59.76 -45.01 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.28 69.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.797 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.413 ' O ' ' HB3' ' A' ' 57' ' ' PHE . 1.9 t60 -75.85 -32.74 59.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.543 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.29 -41.35 61.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.393 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -64.94 -30.17 71.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.402 0.62 . . . . 0.0 109.617 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 31.9 t80 -61.52 -38.1 86.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.572 174.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.614 ' HE3' HD13 ' A' ' 61' ' ' LEU . 4.8 mmmm -70.68 -12.67 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.292 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.434 ' O ' ' HD2' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -96.71 -31.83 12.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.214 0.53 . . . . 0.0 110.073 177.56 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -76.86 -24.66 52.63 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.334 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.614 HD13 ' HE3' ' A' ' 58' ' ' LYS . 1.0 OUTLIER -56.4 -55.55 41.21 Favored Pre-proline 0 C--O 1.222 -0.37 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.811 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 52.3 Cg_exo -56.77 -35.94 98.26 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.055 1.836 . . . . 0.0 112.539 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -70.24 -46.37 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.123 0.487 . . . . 0.0 110.801 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.477 ' HB2' ' CZ3' ' A' ' 107' ' ' TRP . . . -71.32 -30.21 65.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.641 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.468 ' O ' ' HD2' ' A' ' 68' ' ' ARG . 2.9 t70 -61.03 -46.18 91.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.958 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -41.26 94.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.492 177.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' CD ' HH21 ' A' ' 20' ' ' ARG . 42.0 mm-40 -60.53 -41.79 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.852 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' HD2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -57.89 -41.09 81.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.99 -179.057 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -39.82 61.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.891 0.377 . . . . 0.0 110.605 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.34 -15.01 63.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.247 0.546 . . . . 0.0 111.047 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.525 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -91.28 -36.24 7.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -68.0 -28.25 67.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.402 173.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.72 85.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.769 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 71' ' ' ILE . 18.5 mt -65.67 -42.58 92.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.445 0.641 . . . . 0.0 110.309 177.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -71.85 -15.92 62.14 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.913 -179.036 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -40.52 71.72 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -74.74 -37.71 62.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.191 0.52 . . . . 0.0 109.608 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.51 -5.78 55.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.404 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -104.27 -41.32 5.82 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.217 175.355 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 ptt85 -61.06 -22.98 65.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.309 . . . . 0.0 111.05 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.435 HG23 HG23 ' A' ' 10' ' ' ILE . 1.5 pp -63.89 -45.07 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.019 0.438 . . . . 0.0 110.084 175.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.44 -19.95 44.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.225 0.536 . . . . 0.0 110.5 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -73.57 -38.53 65.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.265 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.0 m -77.53 -47.67 18.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.924 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.36 130.69 51.26 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -73.95 72.55 1.62 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.223 0.535 . . . . 0.0 111.673 -174.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.485 ' CD1' ' HG ' ' A' ' 89' ' ' LEU . 1.1 pt -77.96 178.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.953 173.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.01 76.71 1.11 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.248 0.547 . . . . 0.0 111.906 -173.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.485 ' HG ' ' CD1' ' A' ' 87' ' ' ILE . 10.7 mt -83.09 -46.38 12.87 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.08 172.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 m 53.13 -119.03 1.43 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.445 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.62 23.18 3.44 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.552 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.472 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 2.5 m -86.39 60.18 6.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 111.535 -176.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.83 104.22 6.29 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.719 177.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 92' ' ' SER . 56.8 Cg_endo -75.54 -47.25 0.19 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.812 2.341 . . . . 0.0 113.629 -171.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.761 ' CD2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -93.93 -49.66 5.7 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.486 0.66 . . . . 0.0 109.322 -179.557 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.598 HG22 ' HB3' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -86.61 75.06 9.75 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.87 -177.398 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.54 51.37 2.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.073 0.939 . . . . 0.0 110.787 174.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.422 HG21 HG21 ' A' ' 96' ' ' THR . 0.0 OUTLIER -135.6 96.35 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 114.145 -1.389 . . . . 0.0 110.055 -178.39 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.478 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -75.7 154.56 85.36 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.543 -178.143 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.478 ' HD2' HG22 ' A' ' 99' ' ' THR . 9.2 Cg_endo -52.36 -40.67 70.16 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.99 2.46 . . . . 0.0 112.802 -178.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -68.21 -42.13 80.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.976 0.417 . . . . 0.0 110.08 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.652 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -57.77 -34.75 48.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.047 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.565 HG21 ' N ' ' A' ' 104' ' ' ASN . 0.4 OUTLIER -89.4 -31.66 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.425 -179.445 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.565 ' N ' HG21 ' A' ' 103' ' ' ILE . 2.0 t-20 -75.65 -51.94 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.608 0.242 . . . . 0.0 111.246 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 m -67.21 -31.15 71.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.884 0.373 . . . . 0.0 110.593 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.652 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -63.94 -43.35 96.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 174.774 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 64' ' ' ALA . 62.7 t-105 -62.51 -40.94 98.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.613 177.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -39.56 90.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.074 0.464 . . . . 0.0 110.456 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.569 ' HD2' ' HE2' ' A' ' 32' ' ' MET . 5.2 ttmt -66.35 -40.91 90.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.401 176.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.43 HG22 ' HG3' ' A' ' 32' ' ' MET . 54.6 t -57.03 -46.25 84.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 110.438 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -59.28 -45.13 92.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.453 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.5 pt20 -74.92 -20.05 59.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.263 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.7 mt -84.64 -14.53 48.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.603 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.493 HG13 ' HD3' ' A' ' 58' ' ' LYS . 37.9 t -62.22 -58.5 17.16 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.486 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.84 -26.21 44.91 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.129 1.886 . . . . 0.0 112.06 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.515 ' HA ' ' HD3' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -68.9 -51.76 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.22 178.238 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.522 ' HG3' HD13 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -65.33 -33.04 75.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.941 176.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.13 -31.91 73.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.057 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.38 -45.77 52.9 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.103 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.38 71.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' ' 50' ' ' LEU . 21.3 mt -67.74 -48.95 64.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.807 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 1.023 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -66.35 -30.04 70.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.728 -179.24 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -46.5 87.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.593 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -79.54 -38.61 33.81 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.355 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 1.023 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -63.37 -27.7 69.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.587 0.232 . . . . 0.0 111.466 -178.497 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.7 m -78.83 -7.82 58.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.384 0.611 . . . . 0.0 110.587 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -111.43 -5.41 14.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.686 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -131.6 85.91 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.193 -175.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.86 ' HA ' HG13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.21 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.111 176.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.829 -0.508 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m 60.7 21.95 11.89 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.001 0.52 . . . . 0.0 111.297 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.85 -18.99 59.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.034 -177.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.736 ' HA ' HD23 ' A' ' 7' ' ' LEU . 1.3 pm0 -66.55 -12.55 58.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.824 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.53 -33.78 14.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.423 ' O ' HG12 ' A' ' 10' ' ' ILE . 5.2 mm100 -69.28 -37.9 78.08 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.276 177.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.736 HD23 ' HA ' ' A' ' 4' ' ' GLU . 1.1 pp -80.69 -34.44 34.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.134 -177.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.612 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -77.33 -32.78 55.42 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.099 -0.241 . . . . 0.0 111.16 -177.26 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.0 86.73 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.613 0.721 . . . . 0.0 109.316 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' A' ' 78' ' ' ALA . 1.1 pt -89.24 -7.37 10.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.801 178.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -77.05 -32.4 56.89 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.432 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.499 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 71.1 mm-40 -69.22 -21.32 63.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.873 171.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.5 mt -79.35 -39.27 33.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 48.3 m170 -59.65 -30.36 68.69 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.636 HD23 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -61.44 -52.39 64.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.687 177.225 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -28.27 67.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.409 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.436 ' HE2' ' CB ' ' A' ' 75' ' ' HIS . 1.7 t80 -67.67 -45.46 75.15 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.3 -14.18 61.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.476 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 -8.3 24.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.545 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -118.3 -41.7 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.374 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.34 -11.89 60.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.724 0.297 . . . . 0.0 110.631 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.63 -58.1 2.37 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.961 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -66.08 -29.11 48.59 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.504 1.47 . . . . 0.0 111.106 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.476 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.6 t80 -67.85 -41.7 82.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.407 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.692 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.4 t-20 -68.99 -31.33 70.1 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -68.85 -37.37 79.07 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.111 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -69.35 -46.9 65.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.776 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.674 ' HB3' ' HE3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -55.28 -29.82 58.92 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.009 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.692 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 4.8 mm-40 -72.72 -64.1 1.03 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.598 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -39.93 93.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.831 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.73 -53.89 10.43 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.479 ' HE3' ' HB2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -63.98 -39.65 94.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.13 -175.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -37.65 85.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.338 -178.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.45 -35.71 70.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 109.958 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -40.85 88.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.029 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.406 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -85.54 -15.34 43.02 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.355 -178.426 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.6 150.11 34.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.937 0.398 . . . . 0.0 110.956 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.482 ' HE3' ' HB2' ' A' ' 38' ' ' MET . 1.5 mtm -87.62 105.6 17.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.765 177.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -64.75 141.09 58.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.802 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.2 tp -120.66 134.75 63.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.668 172.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.596 HG23 HG12 ' A' ' 47' ' ' ILE . 17.2 m -124.68 155.94 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.926 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -115.83 -53.29 2.58 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.252 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.3 p -102.21 166.06 10.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.9 ' HB ' ' HA ' ' A' ' 129' ' ' GLN . 0.6 OUTLIER -67.82 -21.31 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.267 0.556 . . . . 0.0 109.92 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.15 -50.66 69.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.965 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.25 -31.75 73.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.0 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.596 HG12 HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -65.73 -34.02 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.255 -179.75 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -80.57 -31.4 36.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.05 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.64 -41.27 75.83 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -44.77 87.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.327 0.584 . . . . 0.0 110.531 176.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.415 HG12 ' HB3' ' A' ' 121' ' ' LEU . 70.1 mt -73.89 -35.28 42.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.336 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -60.06 -41.08 91.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.971 0.415 . . . . 0.0 110.017 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.15 -33.08 74.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.82 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.405 ' O ' ' HB3' ' A' ' 57' ' ' PHE . 1.1 t60 -71.78 -38.25 70.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.603 178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.74 -51.33 62.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.538 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -63.52 -25.51 68.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.408 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.405 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 34.8 t80 -60.81 -36.79 79.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.226 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.528 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -72.15 -11.5 60.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.012 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.29 -30.72 13.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.295 0.569 . . . . 0.0 110.253 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.29 -25.16 54.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.959 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.528 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.5 mt -57.35 -56.13 37.12 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.143 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 18.2 Cg_endo -59.08 -31.0 94.75 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.909 1.74 . . . . 0.0 112.582 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -72.53 -48.65 38.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.3 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . . . -72.39 -29.1 63.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.17 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.453 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 16.2 t0 -64.15 -47.04 81.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.146 0.498 . . . . 0.0 110.24 177.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -33.08 75.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.09 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -63.44 -45.07 92.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.509 176.596 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.476 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -61.19 -42.64 98.94 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.931 0.396 . . . . 0.0 110.41 178.735 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -65.42 -37.74 87.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.416 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . . . -73.55 -20.12 60.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -84.65 -37.42 12.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 72' ' ' LEU . 9.8 mt -67.88 -28.73 67.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.062 172.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 70' ' ' ALA . . . -68.53 -36.88 79.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.42 176.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.4 mt -67.76 -43.79 86.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.995 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.436 ' CB ' ' HE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -74.31 -13.17 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.287 -177.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 11.6 mttt -58.73 -49.32 78.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.704 0.288 . . . . 0.0 110.879 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -80.68 -29.44 36.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.417 0.627 . . . . 0.0 109.743 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.49 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -75.58 -21.02 58.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.444 -177.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -32.73 11.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.709 0.29 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.44 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -62.42 -31.38 72.06 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -173.461 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pp -66.46 -33.41 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.229 0.537 . . . . 0.0 110.236 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.02 -25.67 29.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.692 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -75.24 -33.38 61.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.338 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.3 m -73.8 -32.67 63.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.373 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.435 ' HB3' HG22 ' A' ' 87' ' ' ILE . 57.8 m-80 -98.64 -152.38 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.51 38.85 1.53 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.512 0.672 . . . . 0.0 109.189 166.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.435 HG22 ' HB3' ' A' ' 85' ' ' ASN . 3.1 pt -84.03 177.65 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.888 -173.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.19 89.5 3.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.681 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -40.74 100.47 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.843 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.525 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 0.7 OUTLIER 48.35 40.92 15.53 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 123.939 0.774 . . . . 0.0 111.498 179.57 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.73 -105.99 2.9 Favored Glycine 0 N--CA 1.446 -0.633 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.9 52.7 1.75 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 96' ' ' THR . 2.0 t-20 71.36 119.12 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.015 -174.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.525 ' HD3' ' HB2' ' A' ' 90' ' ' SER . 49.5 Cg_endo -84.04 -22.48 3.45 Favored 'Trans proline' 0 C--N 1.332 -0.339 0 C-N-CA 123.046 2.497 . . . . 0.0 113.808 -170.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.636 ' CE2' HD23 ' A' ' 15' ' ' LEU . 10.6 m-85 -113.7 -46.4 3.04 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.395 -171.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 93' ' ' ASN . 10.6 t -128.81 142.08 51.09 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.018 -175.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.2 m -108.46 67.54 0.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.39 0.614 . . . . 0.0 111.2 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.89 109.48 12.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.603 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.35 158.4 71.73 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.249 177.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.04 -37.1 96.73 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.608 2.206 . . . . 0.0 111.748 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.53 -38.82 74.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.504 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -40.91 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -84.4 -36.51 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -177.032 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.45 ' N ' HG23 ' A' ' 103' ' ' ILE . 3.2 t30 -76.04 -40.26 53.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.574 0.226 . . . . 0.0 111.521 -177.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 m -75.45 -29.86 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.988 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.674 ' HE3' ' HB3' ' A' ' 28' ' ' MET . 0.2 OUTLIER -66.11 -44.13 85.21 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.014 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.453 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 64.7 t-105 -57.83 -42.58 84.64 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.407 176.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.488 ' HB3' ' HE2' ' A' ' 109' ' ' LYS . 1.6 tm-20 -53.05 -42.89 66.22 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.533 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.488 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 3.0 mmtt -77.27 -33.96 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.737 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 106' ' ' LYS . 41.9 t -56.8 -47.85 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.629 177.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -59.53 -41.58 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.773 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.46 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 6.4 pt20 -82.09 -12.43 58.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.604 -174.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.4 mt -88.95 -15.81 33.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.978 0.418 . . . . 0.0 110.94 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.822 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 64.1 t -60.6 -59.24 14.48 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.297 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.822 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 31.7 Cg_exo -62.05 -35.63 75.12 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.535 2.157 . . . . 0.0 112.645 -178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -58.78 -50.65 73.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.114 0.483 . . . . 0.0 110.199 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.507 ' HG3' HD12 ' A' ' 121' ' ' LEU . 9.9 tpt180 -70.85 -30.98 67.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.593 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -35.77 80.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.545 0.688 . . . . 0.0 109.981 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -72.65 -44.33 62.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.186 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.83 87.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.799 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.507 HD12 ' HG3' ' A' ' 117' ' ' ARG . 16.8 mt -65.55 -51.69 58.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.414 -176.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.614 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -63.21 -38.25 90.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.106 -178.099 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -40.65 95.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.869 0.366 . . . . 0.0 110.538 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.33 -52.99 15.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.614 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -57.79 -27.0 62.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.761 -175.215 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.6 m -65.38 -33.7 76.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.788 0.328 . . . . 0.0 111.76 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.13 9.97 28.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.944 0.402 . . . . 0.0 110.093 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -132.25 24.46 4.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -174.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.9 ' HA ' ' HB ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.234 -0.888 . . . . 0.0 109.676 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.33 92.13 0.41 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.192 0.52 . . . . 0.0 111.004 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.655 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 3.8 m -150.79 -30.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.404 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -61.76 -25.94 67.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.96 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.4 -29.57 33.89 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -176.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.645 ' HB3' HG23 ' A' ' 81' ' ' ILE . 9.3 mt-30 -71.18 -36.93 72.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.219 174.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 3' ' ' THR . 8.7 mt -74.43 -43.96 53.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.811 -177.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -33.57 63.16 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.572 -174.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.18 85.52 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.207 0.527 . . . . 0.0 109.901 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.763 HG22 HG22 ' A' ' 81' ' ' ILE . 1.2 pp -85.25 -13.74 11.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.579 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.9 t0 -75.19 -30.45 60.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.872 175.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -69.5 -30.22 68.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.641 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.513 HD12 ' HB1' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -93.52 -9.88 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 0.0 110.182 175.561 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -60.13 -28.95 68.31 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 171.609 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.643 HD12 ' CD2' ' A' ' 95' ' ' TYR . 0.7 OUTLIER -60.19 -39.93 88.24 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.925 177.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.79 -34.54 78.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.479 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 1.7 t80 -65.99 -45.73 80.56 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HA ' ' OG1' ' A' ' 96' ' ' THR . . . -71.77 -21.71 61.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.808 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.98 -23.27 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.098 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -105.17 -37.33 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.903 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 17' ' ' TYR . . . -68.91 -20.35 64.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.893 0.377 . . . . 0.0 110.176 177.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.34 -58.34 10.68 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.861 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -68.12 -33.31 25.43 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.456 1.437 . . . . 0.0 111.753 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.92 -41.77 97.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.721 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -72.06 -24.29 61.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.304 0.574 . . . . 0.0 110.099 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -72.39 -41.48 66.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.99 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -65.53 -47.06 77.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.104 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.604 ' HE2' ' HE3' ' A' ' 107' ' ' TRP . 1.8 mmt -54.77 -38.2 66.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.302 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -53.1 44.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.7 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -41.71 81.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.882 0.372 . . . . 0.0 111.114 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.02 -52.87 24.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.577 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.594 ' HE1' ' HG2' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -61.03 -36.72 80.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.727 0.299 . . . . 0.0 110.77 -177.136 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.91 -46.05 83.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.594 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -73.54 -31.11 63.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.398 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -29.97 65.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.349 -175.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.91 -11.99 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.876 0.37 . . . . 0.0 111.582 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.26 152.1 24.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.989 0.423 . . . . 0.0 111.654 -172.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.77 111.12 19.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.298 0.571 . . . . 0.0 110.447 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 121' ' ' LEU . 26.4 p90 -69.53 139.87 53.85 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.067 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 tp -106.88 133.29 51.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.282 0.563 . . . . 0.0 110.237 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.6 HG12 HD22 ' A' ' 50' ' ' LEU . 23.5 m -118.22 161.09 17.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.715 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -120.46 -50.5 2.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.023 0.439 . . . . 0.0 110.601 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.485 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.8 OUTLIER -113.0 168.69 9.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.996 179.471 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -43.77 90.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.09 0.471 . . . . 0.0 110.627 177.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.485 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 52.9 mp0 -58.33 -33.36 69.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.191 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.99 -36.09 79.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.577 HG13 ' HG3' ' A' ' 128' ' ' GLN . 0.2 OUTLIER -67.11 -34.82 72.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.787 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.33 -32.56 49.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.962 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.79 -30.94 65.36 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.6 HD22 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -62.29 -40.04 94.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.207 173.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.575 HG12 ' O ' ' A' ' 47' ' ' ILE . 6.8 mm -60.7 -41.82 89.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.076 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 m -60.74 -32.28 71.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.928 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.59 -7.37 43.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.202 0.525 . . . . 0.0 111.005 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.78 -42.04 5.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.65 -47.72 74.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.191 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -72.38 -21.43 61.29 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.132 0.491 . . . . 0.0 109.886 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -68.73 -37.79 79.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.91 -22.38 66.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.15 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -84.6 -29.0 26.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.076 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -19.35 47.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.035 0.445 . . . . 0.0 110.756 175.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.49 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.4 mt -57.69 -52.27 75.57 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.525 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 11.8 Cg_endo -55.77 -35.97 94.42 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.174 1.916 . . . . 0.0 112.883 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -77.61 -42.89 33.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.792 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.68 -33.9 73.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.975 0.417 . . . . 0.0 110.837 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.415 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 8.8 t70 -61.76 -38.23 87.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.317 0.58 . . . . 0.0 110.01 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.2 -45.93 91.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.364 176.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.85 -38.92 90.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.219 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.03 -41.35 92.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.694 0.283 . . . . 0.0 110.732 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -74.86 -37.36 62.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.699 0.285 . . . . 0.0 110.411 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.21 -21.28 64.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.701 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.619 ' HA ' HD13 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -85.4 -38.28 12.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.72 -31.26 72.16 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.234 173.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.6 99.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.407 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.619 HD13 ' HA ' ' A' ' 71' ' ' ILE . 23.6 mt -62.24 -44.05 98.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.576 177.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.705 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -70.34 -15.11 62.83 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.905 -178.159 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -42.98 98.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.473 ' HB3' HD11 ' A' ' 13' ' ' LEU . 8.1 tp10 -79.83 -35.0 38.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.55 176.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.58 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -82.15 4.34 23.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.902 -176.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -122.86 -24.44 4.81 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.203 176.129 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -60.77 -30.62 70.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.382 -175.354 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.763 HG22 HG22 ' A' ' 10' ' ' ILE . 2.0 pp -71.28 -27.14 28.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.388 0.613 . . . . 0.0 110.809 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.593 ' HB1' HD13 ' A' ' 89' ' ' LEU . . . -79.12 -30.56 43.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 62.5 mt-10 -80.52 -21.75 41.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.392 -177.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.49 -22.85 50.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.335 0.588 . . . . 0.0 109.997 173.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -105.3 -148.32 0.4 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -138.88 38.47 2.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.368 0.604 . . . . 0.0 109.795 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.416 HD13 ' HG ' ' A' ' 89' ' ' LEU . 4.2 pt -90.27 -179.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.67 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -128.19 86.07 2.42 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.715 -178.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.593 HD13 ' HB1' ' A' ' 82' ' ' ALA . 10.6 mt -77.36 -14.64 59.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 177.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.03 101.78 0.73 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.292 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.55 -4.29 50.61 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 m -113.93 30.81 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.19 0.519 . . . . 0.0 111.162 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 96' ' ' THR . 2.3 m-20 -81.25 124.42 80.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.75 176.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -81.37 -29.22 1.98 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.935 2.424 . . . . 0.0 114.008 -169.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.643 ' CD2' HD12 ' A' ' 15' ' ' LEU . 4.5 m-30 -108.33 -47.62 3.49 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.335 -173.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.701 ' CG2' HG22 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -128.67 109.43 11.33 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.311 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.5 m -62.38 -34.64 77.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.926 -171.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.701 HG22 ' CG2' ' A' ' 96' ' ' THR . 2.7 m -45.08 136.85 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -175.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.56 ' OG1' HG12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -94.8 167.77 12.47 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.534 174.173 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.705 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 21.7 Cg_endo -59.46 -32.04 95.73 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.357 2.038 . . . . 0.0 111.582 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -74.74 -31.88 61.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.782 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.56 HG12 ' OG1' ' A' ' 99' ' ' THR . 2.0 mm -56.13 -52.04 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.557 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -80.54 -32.23 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.859 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -74.17 -46.38 42.56 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.154 -0.219 . . . . 0.0 111.309 -177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.2 m -70.37 -31.05 68.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.706 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.594 ' HG2' ' HE1' ' A' ' 32' ' ' MET . 1.1 mttm -64.36 -42.8 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.604 ' HE3' ' HE2' ' A' ' 28' ' ' MET . 64.1 t-105 -58.82 -43.08 90.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.239 176.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.86 -43.72 90.89 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 10.7 mmtt -65.22 -33.81 76.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.522 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.0 t -63.54 -45.68 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.527 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -61.76 -36.32 80.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.443 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 2.0 pp0? -84.66 -5.1 59.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.463 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.8 mt -93.71 -14.16 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.171 0.51 . . . . 0.0 110.362 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.49 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 79.1 t -58.12 -55.07 49.17 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.736 178.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 19.6 Cg_endo -58.73 -28.14 85.69 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.495 2.13 . . . . 0.0 113.262 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -67.08 -57.27 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.179 0.514 . . . . 0.0 110.264 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.539 ' HG3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -68.08 -24.25 65.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.591 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -41.04 91.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.303 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -78.28 -41.25 34.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.046 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.79 92.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.349 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.539 HD11 ' HG3' ' A' ' 117' ' ' ARG . 15.3 mt -67.56 -51.05 55.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.168 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -44.68 94.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.501 -177.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -40.19 95.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.875 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -42.23 67.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.423 -178.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -25.45 64.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.766 0.317 . . . . 0.0 110.642 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.1 m -80.65 -13.85 58.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.992 0.425 . . . . 0.0 110.231 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -87.49 -2.06 58.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.997 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.577 ' HG3' HG13 ' A' ' 47' ' ' ILE . 8.2 mm-40 -103.58 -141.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.478 -179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.426 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 49.3 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.608 -175.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.805 -0.518 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.95 93.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.016 0.436 . . . . 0.0 110.661 178.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.697 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.48 -35.13 73.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.892 -175.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -62.03 -16.78 54.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.76 0.314 . . . . 0.0 111.589 -174.098 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -97.66 -26.49 14.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.065 0.459 . . . . 0.0 110.052 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.54 ' O ' HG12 ' A' ' 10' ' ' ILE . 3.0 mt-30 -80.02 -29.45 39.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.822 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' A' ' 3' ' ' THR . 9.2 mt -79.91 -44.9 19.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.337 178.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.2 tp10 -69.41 -39.52 77.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.361 -174.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.57 -30.55 70.2 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.257 0.551 . . . . 0.0 110.439 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 6' ' ' GLN . 1.0 OUTLIER -99.66 -2.56 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.859 -179.031 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.493 ' O ' HD23 ' A' ' 15' ' ' LEU . 2.3 t0 -77.42 -32.63 54.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 172.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.47 -34.59 75.71 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 170.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' HA ' HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -66.19 -48.74 69.69 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.977 172.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -50.05 -38.07 36.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.974 175.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.677 HD11 ' CD2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -59.46 -48.45 81.6 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.509 177.382 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.08 -30.02 69.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 0.0 110.125 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 5.1 t80 -67.32 -51.83 47.72 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.451 ' O ' ' HB1' ' A' ' 22' ' ' ALA . . . -66.3 -25.44 66.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.467 -176.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -29.78 55.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.033 0.444 . . . . 0.0 111.004 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.513 ' HB3' HD13 ' A' ' 71' ' ' ILE . 1.8 mtp85 -97.52 -32.65 11.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -70.88 -16.82 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . . . -71.93 -57.42 3.99 Favored Pre-proline 0 CA--C 1.532 0.266 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.256 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HD3' ' HB2' ' A' ' 22' ' ' ALA . 19.6 Cg_exo -66.51 -30.61 43.23 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 121.906 1.737 . . . . 0.0 111.321 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.434 ' HE2' ' HB3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -66.64 -41.88 87.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.288 177.211 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.53 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.9 t-20 -74.4 -21.73 59.5 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.165 0.507 . . . . 0.0 110.284 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.69 -40.99 63.22 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -66.64 -50.75 61.96 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.192 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.503 ' HE1' ' HE3' ' A' ' 107' ' ' TRP . 8.8 mmt -50.87 -50.88 56.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.855 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.28 -44.5 83.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.955 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -71.58 -36.46 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.902 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.466 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . -73.29 -45.06 57.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.82 0.343 . . . . 0.0 111.241 -178.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.436 ' SD ' ' HD3' ' A' ' 106' ' ' LYS . 3.6 ttt -64.45 -33.49 76.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.132 0.491 . . . . 0.0 110.246 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.44 -46.64 47.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.984 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.85 -42.09 97.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mp -74.61 -21.33 59.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.399 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.444 HE21 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -90.67 -32.56 16.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.167 0.508 . . . . 0.0 110.821 179.356 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.22 131.72 49.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.073 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.9 mmt -77.86 100.81 6.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.632 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -61.46 133.4 55.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.16 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 40' ' ' ILE . 7.7 tp -108.39 133.74 52.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.137 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.504 HG12 HD22 ' A' ' 50' ' ' LEU . 19.0 m -126.73 156.75 37.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -123.81 -51.19 1.82 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.605 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -111.94 174.34 5.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.95 -176.853 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.493 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -74.4 -26.57 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.456 -178.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.605 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 2.2 mp0 -58.51 -47.77 83.03 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.226 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -74.08 -29.66 61.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.303 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.606 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -66.11 -39.12 83.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' N ' HG23 ' A' ' 47' ' ' ILE . 13.1 mt-10 -68.09 -40.69 82.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.199 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.67 -31.58 65.02 Favored Glycine 0 CA--C 1.509 -0.302 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD22 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -58.32 -43.31 88.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.861 -0.67 . . . . 0.0 110.397 173.594 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.606 HG12 ' O ' ' A' ' 47' ' ' ILE . 5.5 mm -64.74 -45.23 95.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.155 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -32.74 71.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.758 0.313 . . . . 0.0 111.188 -178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.34 -31.72 73.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.115 0.483 . . . . 0.0 110.916 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -85.13 -30.18 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.284 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.22 -51.3 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.691 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -69.64 -20.49 63.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.466 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 35.5 t80 -66.18 -38.53 88.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.877 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.64 ' HE3' HD11 ' A' ' 61' ' ' LEU . 9.9 mmmm -69.15 -14.5 63.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.078 176.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m -94.14 -27.69 16.09 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.615 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -22.66 38.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.613 176.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.64 HD11 ' HE3' ' A' ' 58' ' ' LYS . 1.6 mt -55.4 -59.29 11.53 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.979 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.58 -29.65 90.41 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.04 1.827 . . . . 0.0 112.494 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -71.36 -52.75 16.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.294 0.568 . . . . 0.0 110.151 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 68' ' ' ARG . . . -71.72 -32.65 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.391 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 26.6 t70 -62.27 -39.22 92.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.149 0.5 . . . . 0.0 110.753 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -72.34 -37.99 68.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.107 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -37.42 85.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.246 -175.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -62.88 -37.51 87.21 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.315 179.286 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.12 -35.44 64.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.88 0.372 . . . . 0.0 110.445 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.26 -22.9 61.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.561 . . . . 0.0 110.712 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -83.18 -36.84 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -25.06 66.58 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.497 171.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -71.54 -45.3 62.73 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.892 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.6 mt -63.53 -39.14 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.769 0.795 . . . . 0.0 109.52 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 1.7 t60 -72.81 -14.59 61.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.108 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -65.36 -45.49 83.96 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.212 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -79.19 -32.46 44.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.166 0.508 . . . . 0.0 110.131 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.11 1.69 42.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.821 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.11 -40.5 2.5 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -26.11 68.46 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.168 -174.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.411 HG12 HG23 ' A' ' 10' ' ' ILE . 1.9 pp -62.51 -42.84 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 121.178 0.513 . . . . 0.0 109.861 175.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.576 ' HA ' ' ND2' ' A' ' 85' ' ' ASN . . . -77.29 -39.88 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.175 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.6 -7.22 24.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.753 0.311 . . . . 0.0 111.273 -178.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.4 m -109.03 2.52 21.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.618 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.576 ' ND2' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -152.31 -153.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.467 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -75.41 88.76 2.62 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.615 0.245 . . . . 0.0 110.413 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.512 ' CG2' ' HB3' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -41.07 119.13 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.582 170.742 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.44 60.65 0.76 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.333 0.587 . . . . 0.0 110.396 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.498 ' HB2' ' H ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -138.62 -95.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.441 178.18 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.498 ' H ' ' HB2' ' A' ' 89' ' ' LEU . 0.9 OUTLIER 45.05 50.51 9.21 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 123.812 0.695 . . . . 0.0 112.509 175.009 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.81 -26.74 13.41 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.347 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -87.09 59.2 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.177 0.513 . . . . 0.0 110.989 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -90.32 124.05 63.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.82 -56.78 0.07 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.567 2.178 . . . . 0.0 113.896 -171.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.677 ' CD2' HD11 ' A' ' 15' ' ' LEU . 2.8 m-85 -101.22 -44.59 5.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.084 0.469 . . . . 0.0 110.842 -171.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.691 HG22 HG12 ' A' ' 98' ' ' VAL . 0.8 OUTLIER -122.96 115.21 21.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.6 0.715 . . . . 0.0 110.121 -177.036 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.1 m -80.18 -29.64 38.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.171 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.691 HG12 HG22 ' A' ' 96' ' ' THR . 0.5 OUTLIER -48.44 128.45 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.87 177.088 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.438 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -104.78 163.38 17.32 Favored Pre-proline 0 N--CA 1.446 -0.671 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.333 -179.264 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.438 ' HD2' HG22 ' A' ' 99' ' ' THR . 11.1 Cg_endo -54.8 -39.55 89.25 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.879 2.386 . . . . 0.0 111.997 178.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -68.18 -40.94 82.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.191 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -56.6 -34.9 43.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 104' ' ' ASN . 0.2 OUTLIER -91.4 -36.28 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -176.725 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.5 ' N ' HG22 ' A' ' 103' ' ' ILE . 0.9 OUTLIER -79.59 -41.52 26.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.568 0.223 . . . . 0.0 111.407 -176.712 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.6 m -69.97 -33.45 72.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.688 0.28 . . . . 0.0 110.454 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.481 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -65.59 -43.42 89.74 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.218 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.503 ' HE3' ' HE1' ' A' ' 28' ' ' MET . 65.4 t-105 -56.0 -45.92 78.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.107 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -34.2 71.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.475 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.3 mttm -80.72 -36.74 31.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.643 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.68 -44.1 99.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.532 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 3.9 mm100 -57.81 -47.7 81.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.742 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.512 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 1.4 pt20 -71.63 -14.33 62.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.328 -177.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.3 mt -84.41 -19.28 33.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.029 0.442 . . . . 0.0 110.295 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.702 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 87.7 t -61.38 -54.81 49.32 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.989 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.702 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 38.5 Cg_exo -61.74 -36.97 71.37 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.278 1.985 . . . . 0.0 112.204 178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.473 ' HE2' ' O ' ' A' ' 112' ' ' GLN . 12.7 mttm -58.67 -50.6 73.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.341 0.591 . . . . 0.0 110.189 177.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.503 ' HG3' HD11 ' A' ' 121' ' ' LEU . 1.6 tpt180 -68.21 -34.26 75.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.597 178.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -63.94 -32.42 73.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.994 0.426 . . . . 0.0 110.549 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -86.74 -41.54 14.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.238 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.11 90.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.423 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.503 HD11 ' HG3' ' A' ' 117' ' ' ARG . 31.0 mt -62.8 -50.58 70.44 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.446 178.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.465 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -58.38 -44.48 88.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.16 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.12 -46.49 89.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.602 0.239 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -41.85 70.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.777 -177.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.465 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -69.05 -23.38 64.04 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.842 -178.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.6 m -86.81 -12.18 48.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 110.745 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -19.86 52.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 0.0 109.752 175.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -92.52 -145.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.974 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.36 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.954 -0.458 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -74.63 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.803 0.335 . . . . 0.0 111.359 -177.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.661 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -130.8 -27.48 2.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.761 0.315 . . . . 0.0 111.743 -175.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.621 ' HA ' HD11 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -63.58 -19.61 64.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.994 -174.745 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -28.98 17.81 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -67.13 -39.91 86.7 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 3' ' ' THR . 6.5 mt -71.57 -39.8 70.37 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.422 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -65.95 -38.04 87.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.411 -179.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.06 -41.28 64.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.683 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.509 HG22 HG21 ' A' ' 81' ' ' ILE . 1.8 pp -77.25 -16.59 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.294 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.535 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 20.5 t70 -80.39 -24.72 39.52 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.106 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -82.01 -13.93 56.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.359 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.489 HD21 ' HA ' ' A' ' 10' ' ' ILE . 1.4 pp -102.56 -2.54 28.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 168.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -64.49 -36.22 83.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.473 175.044 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.709 HD11 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -80.08 -17.62 52.17 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.412 -179.416 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -43.01 91.14 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.394 172.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.566 ' CD1' HG21 ' A' ' 96' ' ' THR . 2.7 t80 -57.95 -49.44 76.78 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 171.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.781 ' HB3' ' HB ' ' A' ' 96' ' ' THR . . . -61.25 -30.13 70.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.907 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.39 -29.0 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.689 0.28 . . . . 0.0 111.119 -176.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 -95.82 -37.28 10.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.041 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -19.05 63.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.246 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.24 -59.58 4.93 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.392 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.47 -25.23 30.16 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.226 1.284 . . . . 0.0 111.261 178.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.692 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.9 t80 -69.21 -41.2 77.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.347 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -68.68 -33.08 73.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.174 0.511 . . . . 0.0 110.062 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.06 -36.21 72.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.386 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -69.36 -49.17 58.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.063 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.648 ' HE2' HG13 ' A' ' 103' ' ' ILE . 17.0 mtm -60.14 -43.04 96.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.364 -176.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.47 -42.49 92.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.637 0.256 . . . . 0.0 110.579 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.5 m -66.81 -41.3 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.345 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 35' ' ' LEU . . . -65.12 -46.86 79.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.579 ' HE2' ' HG3' ' A' ' 106' ' ' LYS . 19.2 ttm -59.95 -35.41 74.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.803 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.54 -48.65 25.69 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.641 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.39 -31.79 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 -175.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.682 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 3.8 mp -77.04 -28.62 54.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.961 -178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -78.68 -39.26 37.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.056 -179.306 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -78.14 154.33 31.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.655 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.45 168.49 19.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.506 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -124.87 124.24 41.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.14 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.486 HD13 ' HA ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -86.63 130.64 36.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.157 0.503 . . . . 0.0 109.701 175.075 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.449 HG11 HD23 ' A' ' 50' ' ' LEU . 28.7 m -126.45 149.19 31.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.394 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -111.65 -46.99 3.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.215 0.531 . . . . 0.0 110.169 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.522 ' HB ' ' HG3' ' A' ' 45' ' ' GLU . 1.2 p -134.33 170.33 15.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.682 -174.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.493 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.91 -33.72 53.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.953 0.406 . . . . 0.0 110.615 178.379 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.522 ' HG3' ' HB ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -50.59 -38.94 48.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.347 176.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.85 -32.69 27.35 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 120.908 0.385 . . . . 0.0 110.563 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.721 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -62.34 -41.91 93.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.171 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.04 -28.64 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.112 0.482 . . . . 0.0 110.094 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.17 -38.2 54.63 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.449 HD23 HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -58.25 -46.19 86.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.693 -0.754 . . . . 0.0 110.955 174.65 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.721 HG12 ' O ' ' A' ' 47' ' ' ILE . 4.2 mm -64.37 -40.62 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.362 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.5 m -58.26 -35.52 71.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.981 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . -65.24 -19.11 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.005 0.431 . . . . 0.0 111.14 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.75 -29.82 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -64.86 -50.66 65.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.401 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.81 -24.64 64.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.878 177.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 31.9 t80 -69.95 -44.72 68.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.262 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.594 ' HE3' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.16 -20.06 62.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.569 175.013 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -92.76 -28.25 16.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.161 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -21.52 27.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.801 0.334 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.594 HD13 ' HE3' ' A' ' 58' ' ' LYS . 1.8 mt -54.34 -55.73 34.08 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.682 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.488 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 33.8 Cg_exo -58.27 -28.87 85.98 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.054 1.836 . . . . 0.0 112.433 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.54 -53.77 9.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.282 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.6 -29.92 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.103 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.486 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 30.4 t70 -63.03 -47.89 81.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.765 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -27.1 63.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.438 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.11 -41.28 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.692 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -63.12 -38.79 92.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.043 0.449 . . . . 0.0 110.181 177.29 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -42.28 94.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.935 175.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.71 -16.3 63.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.9 -39.04 14.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.502 ' HA ' HD22 ' A' ' 72' ' ' LEU . 34.1 mt -68.53 -27.06 65.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.286 173.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.41 -33.94 77.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.525 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.8 mt -71.85 -41.81 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.006 175.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.466 ' HD2' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -72.78 -14.75 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.432 -177.772 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -40.23 90.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.567 0.222 . . . . 0.0 110.627 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.415 ' HA ' ' HG2' ' A' ' 80' ' ' ARG . 61.2 mm-40 -81.04 -33.84 33.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 110.447 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.49 -6.14 59.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.845 -174.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.61 -37.17 5.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.211 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 12.8 ptt85 -60.21 -35.22 74.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.912 -178.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.509 HG21 HG22 ' A' ' 10' ' ' ILE . 2.2 pp -63.41 -35.48 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.295 0.569 . . . . 0.0 110.14 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.72 49.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.66 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -76.49 -21.27 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.81 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 m -81.46 -20.2 40.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.195 0.521 . . . . 0.0 110.266 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.484 HD22 HG22 ' A' ' 3' ' ' THR . 29.4 m-80 -104.42 -159.04 0.69 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.413 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 0.2 OUTLIER -135.53 44.31 2.54 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 171.608 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.581 HD13 ' HG ' ' A' ' 89' ' ' LEU . 1.8 pt -83.03 -179.55 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.782 -174.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.91 88.92 2.84 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.939 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.581 ' HG ' HD13 ' A' ' 87' ' ' ILE . 4.4 mt -56.73 -31.73 64.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.009 177.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.68 105.84 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.718 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.46 -12.02 33.22 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.759 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.442 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 1.3 m -108.92 17.94 21.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.47 0.652 . . . . 0.0 109.97 178.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.62 99.39 13.2 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.206 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 92' ' ' SER . 95.3 Cg_endo -83.09 -41.34 0.1 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.732 2.288 . . . . 0.0 113.333 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.709 ' CE2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -97.15 -55.36 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.0 110.232 -175.006 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.781 ' HB ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -119.59 134.83 55.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.399 -176.379 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 m -103.68 -27.53 12.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.461 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.44 ' H ' HG22 ' A' ' 98' ' ' VAL . 0.1 OUTLIER -43.83 105.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 114.456 -1.247 . . . . 0.0 112.878 -179.642 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.515 ' CG2' ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -82.89 161.15 59.12 Favored Pre-proline 0 N--CA 1.448 -0.543 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.925 177.443 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 99' ' ' THR . 10.2 Cg_endo -51.43 -42.29 55.8 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.844 2.363 . . . . 0.0 112.535 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -69.4 -34.26 74.23 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.511 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.1 -44.74 84.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.648 HG13 ' HE2' ' A' ' 28' ' ' MET . 0.3 OUTLIER -75.49 -32.5 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.11 -178.553 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.5 ' N ' HG22 ' A' ' 103' ' ' ILE . 10.5 t-20 -72.25 -49.9 31.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.393 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.1 m -58.12 -34.91 70.73 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.983 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.59 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -63.68 -48.57 76.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.349 177.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.486 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 71.9 t-105 -59.82 -41.84 92.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.568 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -38.24 85.73 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.38 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -41.02 91.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.718 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.07 -43.26 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.619 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -59.84 -45.85 91.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.797 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.0 -1.34 28.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.286 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.682 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 9.2 mt -100.52 -14.74 18.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.988 0.423 . . . . 0.0 110.349 176.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.789 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 98.6 t -60.71 -58.31 20.19 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.607 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.789 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 24.8 Cg_exo -64.29 -36.2 47.1 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.324 2.016 . . . . 0.0 112.28 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -47.95 83.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.127 0.489 . . . . 0.0 110.426 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.47 ' HG3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -72.17 -31.27 65.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.046 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -67.36 -32.27 73.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.156 0.503 . . . . 0.0 109.807 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.475 ' O ' ' HG2' ' A' ' 123' ' ' GLU . 5.1 t-160 -68.45 -50.13 54.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.268 -178.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 124' ' ' GLU . . . -61.02 -36.67 80.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.702 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.582 HD23 HD11 ' A' ' 51' ' ' ILE . 23.6 mt -68.29 -47.8 66.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.242 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.571 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 14.8 mt -66.37 -41.95 88.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.866 -175.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 119' ' ' HIS . 18.0 pt-20 -74.54 -23.13 58.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.731 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -78.75 -44.46 23.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.664 0.269 . . . . 0.0 110.331 176.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.571 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.4 OUTLIER -67.23 -24.95 65.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.646 179.211 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 64.6 m -80.1 -21.47 43.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -5.9 58.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.482 0.658 . . . . 0.0 109.963 175.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.612 ' HG3' HG13 ' A' ' 47' ' ' ILE . 19.0 mm-40 -100.78 -152.74 0.43 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.683 175.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.045 -0.979 . . . . 0.0 109.577 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.77 -50.01 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.944 0.402 . . . . 0.0 111.231 -178.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.443 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -56.89 -36.4 70.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.051 -176.59 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.681 ' HA ' HD22 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -74.1 -4.16 33.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.737 -176.596 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.1 -30.13 9.94 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 176.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.443 ' OE1' ' HA ' ' A' ' 3' ' ' THR . 51.2 mt-30 -65.81 -43.32 88.99 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.296 173.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 4' ' ' GLU . 2.9 pp -77.58 -27.26 51.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.664 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 2.6 tt0 -72.79 -37.76 67.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.405 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.69 -41.01 75.99 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.188 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.826 HD13 HD23 ' A' ' 89' ' ' LEU . 1.5 pp -76.23 -16.55 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.968 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.1 t0 -75.42 -25.11 57.26 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -72.86 -39.07 66.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.235 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' ' 78' ' ' ALA . 1.0 OUTLIER -83.18 -6.51 59.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.009 0.433 . . . . 0.0 110.167 175.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.547 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -63.77 -25.68 68.29 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 172.148 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.615 HD12 ' CD2' ' A' ' 95' ' ' TYR . 0.9 OUTLIER -65.24 -32.27 73.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -65.06 -34.47 78.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.933 0.397 . . . . 0.0 110.395 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -64.7 -48.14 75.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' ALA . . . -70.46 -17.58 62.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.785 -178.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 -27.69 17.68 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -102.53 -33.94 9.3 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.882 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.83 -16.98 60.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.725 0.297 . . . . 0.0 110.214 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 18' ' ' ALA . . . -66.65 -58.78 9.2 Favored Pre-proline 0 CA--C 1.53 0.21 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.8 -27.65 51.71 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.515 1.477 . . . . 0.0 111.48 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.22 -44.84 86.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.176 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -75.11 -21.2 59.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.48 0.657 . . . . 0.0 110.156 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -71.32 -44.34 65.31 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -63.24 -48.21 79.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.988 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mtt -49.57 -54.27 19.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.603 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -66.35 -47.09 74.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.66 -175.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 m -66.74 -26.79 67.16 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.362 -176.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.8 -49.6 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.633 0.254 . . . . 0.0 111.62 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.555 ' HG3' HG23 ' A' ' 110' ' ' VAL . 0.9 OUTLIER -61.85 -35.4 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.181 -176.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -73.7 -34.18 64.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.315 -178.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.82 -38.96 83.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.316 0.579 . . . . 0.0 109.516 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD23 ' HB3' ' A' ' 113' ' ' LEU . 4.3 mp -71.14 -32.47 69.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.69 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -36.88 55.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.158 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -70.61 167.23 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.248 -178.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.48 137.41 35.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.218 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -101.18 130.07 47.21 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.267 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.504 ' O ' HG21 ' A' ' 40' ' ' ILE . 2.1 tp -99.88 129.0 51.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.935 176.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.447 ' CG1' HD21 ' A' ' 50' ' ' LEU . 34.9 m -126.67 137.98 56.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.238 0.542 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -117.73 -41.11 2.95 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.064 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.453 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 10.7 p -122.66 164.87 17.45 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.556 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.502 HG21 ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -66.79 -30.37 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.377 179.147 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' OE2' HG21 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -48.82 -47.65 42.16 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.746 176.658 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.57 -33.63 66.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.626 0.25 . . . . 0.0 110.691 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.42 -35.2 74.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.327 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.88 -33.55 74.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.172 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.14 -46.33 5.63 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.696 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.447 HD21 ' CG1' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -51.27 -46.06 62.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.049 0.54 . . . . 0.0 111.434 176.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.608 HG12 ' HB3' ' A' ' 121' ' ' LEU . 31.1 mt -74.05 -32.1 31.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.215 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.2 m -64.12 -24.1 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.049 0.452 . . . . 0.0 110.729 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.52 0.48 14.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.67 0.748 . . . . 0.0 110.678 175.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -114.45 -36.63 4.55 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 171.036 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -48.46 -59.47 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.659 173.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -87.92 2.28 51.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.417 ' HB2' ' HA ' ' A' ' 54' ' ' HIS . 7.4 t80 -74.54 -34.97 63.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.545 ' HE2' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -64.96 -20.28 66.4 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.772 174.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.97 -32.69 16.68 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.866 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.3 -28.69 57.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.012 0.434 . . . . 0.0 111.418 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.545 HD12 ' HE2' ' A' ' 58' ' ' LYS . 3.7 mt -60.3 -53.82 61.11 Favored Pre-proline 0 C--O 1.22 -0.465 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 13.2 Cg_endo -56.98 -36.17 99.16 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.996 1.797 . . . . 0.0 112.529 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -73.99 -47.48 36.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.177 -179.239 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.564 ' HB1' ' CZ3' ' A' ' 107' ' ' TRP . . . -67.61 -29.54 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -41.94 95.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.977 0.418 . . . . 0.0 110.186 176.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 64' ' ' ALA . 70.8 mm-40 -58.96 -45.24 91.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.282 176.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -26.6 68.41 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.769 0.319 . . . . 0.0 110.739 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.21 -40.53 19.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.953 0.406 . . . . 0.0 110.529 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.59 -20.4 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.108 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.96 -34.43 7.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -65.76 -29.41 69.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.01 171.609 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.26 88.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.7 mt -66.2 -41.36 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.397 0.618 . . . . 0.0 110.092 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.521 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -78.03 -5.8 52.53 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.143 -177.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 72' ' ' LEU . 3.5 mmmt -59.96 -55.68 31.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.25 -28.73 42.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.74 0.781 . . . . 0.0 109.516 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.591 ' HB3' HD11 ' A' ' 13' ' ' LEU . . . -82.59 -1.25 50.27 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.228 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -124.33 -44.74 1.99 Allowed 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 120.378 -0.529 . . . . 0.0 112.166 177.04 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.879 ' HA ' ' HG3' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -53.88 -29.22 40.72 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.6 pp -56.9 -42.97 79.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.473 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.61 -16.62 44.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.453 0.644 . . . . 0.0 110.419 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.879 ' HG3' ' HA ' ' A' ' 80' ' ' ARG . 1.4 mt-10 -80.09 -29.53 39.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.541 175.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.7 m -81.36 -44.92 16.89 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.287 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.89 134.45 53.54 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -73.62 65.89 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 123.466 0.479 . . . . 0.0 111.756 -172.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -96.37 169.54 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.46 93.4 2.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.562 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.826 HD23 HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -48.47 -78.97 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.01 177.441 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.3 -68.84 0.89 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.37 -105.46 0.21 Allowed Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.99 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.55 -31.19 13.43 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 96' ' ' THR . 16.4 p-10 -140.43 137.23 17.43 Favored Pre-proline 0 N--CA 1.454 -0.268 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.834 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.403 ' HG3' ' ND1' ' A' ' 14' ' ' HIS . 73.0 Cg_endo -81.67 -49.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.259 1.972 . . . . 0.0 111.947 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.615 ' CD2' HD12 ' A' ' 15' ' ' LEU . 11.5 m-85 -131.09 -42.46 1.09 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.026 0.441 . . . . 0.0 110.188 -175.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 4.6 t -116.02 134.24 55.17 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.944 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.5 m -77.51 -25.86 50.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.502 -173.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.483 HG23 HG22 ' A' ' 96' ' ' THR . 15.1 m -54.06 112.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.399 0.619 . . . . 0.0 112.319 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.489 ' OG1' HD11 ' A' ' 102' ' ' ILE . 16.1 p -94.82 160.26 31.58 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.992 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 10.5 Cg_endo -54.19 -36.57 86.2 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.011 2.474 . . . . 0.0 112.312 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -75.84 -41.07 53.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.687 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.489 HD11 ' OG1' ' A' ' 99' ' ' THR . 1.2 mp -61.7 -40.59 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.317 . . . . 0.0 110.278 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 104' ' ' ASN . 0.4 OUTLIER -76.67 -31.87 20.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.403 -178.501 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.539 ' N ' HG22 ' A' ' 103' ' ' ILE . 1.4 t-20 -76.74 -50.17 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.063 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -60.38 -40.01 89.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.402 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 2.8 mmtt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.908 0.385 . . . . 0.0 110.329 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.564 ' CZ3' ' HB1' ' A' ' 64' ' ' ALA . 54.1 t-105 -59.44 -42.63 92.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.27 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -58.75 -35.55 72.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.319 0.58 . . . . 0.0 110.899 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.57 -39.79 62.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.317 179.424 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.555 HG23 ' HG3' ' A' ' 32' ' ' MET . 73.9 t -55.84 -45.01 79.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.598 174.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -61.4 -40.51 94.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.281 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 4.5 pt20 -72.98 -25.29 60.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.918 0.389 . . . . 0.0 111.245 -177.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.473 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.5 mt -75.92 -18.88 59.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.733 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.893 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 57.6 t -61.23 -61.51 7.79 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.016 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.893 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 29.2 Cg_exo -62.84 -26.6 74.75 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.438 2.092 . . . . 0.0 112.233 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.45 -56.14 14.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.472 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.494 ' HG3' HD11 ' A' ' 121' ' ' LEU . 0.9 OUTLIER -69.74 -30.57 68.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.466 179.177 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 114' ' ' VAL . 0.4 OUTLIER -57.38 -38.26 73.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.203 0.525 . . . . 0.0 110.457 177.691 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -76.68 -32.13 57.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.581 -175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.12 -40.41 71.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.196 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.608 ' HB3' HG12 ' A' ' 51' ' ' ILE . 16.2 mt -67.32 -45.42 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.787 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.408 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 1.7 mm? -72.91 -14.06 61.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.478 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -24.71 20.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.024 0.44 . . . . 0.0 110.371 175.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -88.65 -46.01 9.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.184 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.408 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -61.76 -26.8 68.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.51 -177.163 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -12.15 61.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.592 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -89.81 -4.28 57.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.144 0.497 . . . . 0.0 110.591 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -95.03 -133.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.454 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.609 -178.505 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.895 0 N-CA-C 112.034 -0.426 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.19 94.74 0.16 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.223 0.535 . . . . 0.0 110.067 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.635 ' HA ' ' CG ' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -84.04 -12.87 54.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -169.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -10.15 59.41 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.463 -171.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.0 -29.13 7.11 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.668 175.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.635 ' CG ' ' HA ' ' A' ' 3' ' ' THR . 3.6 pt20 -88.0 -15.67 35.8 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.319 -0.553 . . . . 0.0 110.703 -175.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -96.32 -37.39 10.52 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 173.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.465 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 3.3 tp10 -68.47 -40.83 80.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.906 -176.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.75 69.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.678 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.636 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.2 pp -83.23 -15.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.259 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 3.2 t0 -79.34 -27.11 42.05 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -71.67 -34.97 70.15 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.489 174.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.636 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 1.5 pp -88.06 -8.76 55.05 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.05 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.7 OUTLIER -61.3 -29.87 70.14 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 170.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.7 HD11 ' CD2' ' A' ' 95' ' ' TYR . 0.6 OUTLIER -64.08 -37.13 86.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.6 175.191 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.14 -34.51 77.77 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 120.964 0.412 . . . . 0.0 110.289 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.501 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 2.2 t80 -65.6 -48.49 72.14 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HA ' ' CG2' ' A' ' 96' ' ' THR . . . -69.39 -22.0 63.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.589 -178.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -38.08 56.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.613 0.244 . . . . 0.0 111.07 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.677 ' HB3' HD11 ' A' ' 71' ' ' ILE . 8.1 mtt85 -89.88 -36.2 15.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.597 -177.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' CB ' HG21 ' A' ' 98' ' ' VAL . . . -68.75 -17.79 64.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.931 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.454 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -69.0 -56.78 8.47 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.356 -177.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 20' ' ' ARG . 17.0 Cg_exo -66.39 -28.93 46.18 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.951 1.767 . . . . 0.0 111.47 176.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -42.01 86.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.337 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 2.1 t-20 -68.38 -31.31 70.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.569 0.699 . . . . 0.0 110.024 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.77 -22.75 53.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.233 -178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -87.64 -52.03 5.55 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.091 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.462 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -57.74 -46.01 85.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.857 -176.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -41.59 97.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.607 0.241 . . . . 0.0 111.407 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -77.45 -25.14 50.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.002 0.429 . . . . 0.0 110.846 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.49 -48.12 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.406 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.518 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -64.09 -29.84 70.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.837 -177.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -39.59 74.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.7 -40.36 95.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.371 0.605 . . . . 0.0 110.213 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.706 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 8.3 mp -74.72 -23.35 58.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.962 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -91.89 -32.52 15.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.961 -178.342 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -76.77 176.15 8.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.456 0.646 . . . . 0.0 111.931 -174.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.9 tpt -109.12 142.02 40.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.479 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.507 ' CE2' HD21 ' A' ' 121' ' ' LEU . 16.5 p90 -113.66 127.52 56.08 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.573 -176.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.537 ' O ' HG23 ' A' ' 40' ' ' ILE . 6.5 tp -105.52 120.83 56.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.856 0.836 . . . . 0.0 110.099 173.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.815 HG11 HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.61 96.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.695 -178.316 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -86.81 -32.58 20.24 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.91 143.97 39.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.191 -174.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -67.68 -35.83 74.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -176.626 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -34.23 59.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.588 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -79.78 -37.19 35.85 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.475 HD11 HG21 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -59.99 -36.79 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.831 0.348 . . . . 0.0 110.441 -177.81 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -81.96 6.83 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.313 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -123.48 -35.0 0.72 Allowed Glycine 0 N--CA 1.455 -0.086 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.815 HD11 HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -67.69 -49.1 64.45 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.437 1.095 . . . . 0.0 110.47 178.518 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.507 HG12 ' HB3' ' A' ' 121' ' ' LEU . 29.0 mt -63.39 -40.96 91.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -31.1 69.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.396 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.28 -25.7 66.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.074 0.464 . . . . 0.0 110.717 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.434 ' HE1' HD13 ' A' ' 35' ' ' LEU . 33.2 t60 -97.7 -13.69 21.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.36 177.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -78.77 -48.55 14.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.713 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.53 -13.32 58.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.257 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -59.89 -37.63 79.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.449 175.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -73.42 -13.59 61.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.62 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.01 -33.85 15.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.698 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.1 -22.81 41.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.145 176.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.8 -60.86 6.21 Favored Pre-proline 0 N--CA 1.467 0.387 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.16 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.01 -30.04 90.67 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.006 1.804 . . . . 0.0 112.515 -176.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.4 -50.37 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.347 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.27 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.519 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 1.8 t70 -61.3 -47.62 85.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.349 177.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -37.19 84.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.371 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.24 -35.9 80.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.545 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HD2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -57.06 -43.34 81.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 178.798 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -29.74 57.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.859 0.361 . . . . 0.0 110.481 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.96 -9.8 59.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.146 0.498 . . . . 0.0 110.814 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -94.2 -39.09 10.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.019 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -65.65 -30.91 71.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.942 -1.027 . . . . 0.0 109.454 174.614 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.38 87.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.926 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 71' ' ' ILE . 33.4 mt -65.58 -42.12 92.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.28 0.562 . . . . 0.0 110.409 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.694 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -73.19 -16.07 61.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.932 -178.277 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -48.31 82.12 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -78.1 -30.15 49.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.974 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.518 ' HB1' HD13 ' A' ' 13' ' ' LEU . . . -87.14 -0.37 56.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.443 -175.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -116.68 -42.99 2.93 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.732 177.574 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -56.57 -32.61 65.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.635 -176.173 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.46 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 2.3 pp -61.31 -34.35 60.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.979 0.419 . . . . 0.0 110.923 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.41 -30.53 33.54 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.941 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 61.9 mt-10 -75.54 -16.76 60.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.358 -176.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -18.57 58.31 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.107 0.479 . . . . 0.0 110.604 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.493 ' HB2' HG22 ' A' ' 87' ' ' ILE . 3.9 m-80 -125.85 -153.97 0.6 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -133.16 43.15 2.97 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 171.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.493 HG22 ' HB2' ' A' ' 85' ' ' ASN . 1.9 pt -80.07 168.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.395 -173.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.78 86.51 2.51 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.583 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.41 ' HG ' HD13 ' A' ' 87' ' ' ILE . 7.3 mt -63.85 176.19 0.99 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.648 175.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.465 ' HB2' ' HB3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -76.32 42.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.024 0.44 . . . . 0.0 110.942 178.156 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.85 164.43 36.98 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 -175.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -29.71 69.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.352 0.596 . . . . 0.0 109.913 175.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.662 ' HB2' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -128.91 86.74 56.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.02 179.767 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HB3' ' HB2' ' A' ' 90' ' ' SER . 70.9 Cg_endo -78.3 -43.45 0.19 Allowed 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.555 2.17 . . . . 0.0 113.264 -176.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.7 ' CD2' HD11 ' A' ' 15' ' ' LEU . 19.9 m-30 -98.76 -47.86 5.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.002 0.43 . . . . 0.0 110.369 -174.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 96' ' ' THR . 11.9 t -122.95 127.76 49.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.662 ' HA ' ' HB2' ' A' ' 93' ' ' ASN . 6.9 m -84.26 71.25 10.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.362 0.601 . . . . 0.0 111.666 -174.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.517 HG21 ' CB ' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -134.99 82.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.849 178.287 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.449 ' CG2' ' HD2' ' A' ' 100' ' ' PRO . 0.2 OUTLIER -64.04 148.24 95.5 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.694 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 1.3 Cg_endo -44.38 -44.87 13.02 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.467 2.778 . . . . 0.0 112.521 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -63.29 -45.26 92.2 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.092 0.472 . . . . 0.0 110.65 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -61.25 -40.56 86.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.967 -177.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.553 HG22 ' N ' ' A' ' 104' ' ' ASN . 0.5 OUTLIER -82.83 -32.29 9.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.348 -179.071 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.553 ' N ' HG22 ' A' ' 103' ' ' ILE . 6.4 t-20 -73.03 -51.58 17.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.631 0.253 . . . . 0.0 110.438 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.2 m -66.18 -27.31 67.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.072 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -66.27 -47.0 75.12 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 174.168 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.454 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 57.0 t-105 -60.16 -42.27 94.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.985 175.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.4 -38.61 90.32 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.829 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -68.05 -39.72 82.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.972 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 25.5 t -57.99 -47.61 86.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.365 176.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.14 -33.71 67.66 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.145 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -20.57 40.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.77 0.319 . . . . 0.0 111.26 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.706 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 12.6 mt -89.26 -26.05 21.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.919 -177.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.739 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 21.6 t -55.55 -57.55 20.35 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.739 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 32.2 Cg_exo -59.75 -31.99 94.93 Favored 'Trans proline' 0 C--N 1.358 1.076 0 C-N-CA 122.712 2.275 . . . . 0.0 112.775 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -60.34 -51.35 69.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.214 0.53 . . . . 0.0 110.049 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.519 ' HG3' HD13 ' A' ' 121' ' ' LEU . 14.7 tpt180 -75.06 -33.7 61.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.768 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -34.08 75.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.8 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -83.01 -41.09 19.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.185 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.48 91.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.962 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.519 HD13 ' HG3' ' A' ' 117' ' ' ARG . 34.4 mt -67.79 -49.62 61.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.53 11.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.512 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -113.11 -40.38 3.95 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.33 -35.19 71.12 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.181 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 126' ' ' SER . 0.0 OUTLIER -69.07 -30.7 69.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.269 178.358 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.483 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -76.66 -28.56 56.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.347 0.594 . . . . 0.0 110.286 177.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.24 6.97 27.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.21 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.468 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 1.3 mm-40 -95.6 -133.76 0.2 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.196 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.468 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.434 -178.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -48.0 81.77 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -174.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -36.73 82.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.227 0.537 . . . . 0.0 111.654 -175.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 1.017 ' HA ' HD23 ' A' ' 7' ' ' LEU . 2.1 mp0 -67.81 -28.89 67.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.651 -172.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' HB3' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -77.2 -39.47 48.65 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 120.872 0.368 . . . . 0.0 110.244 -178.035 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.453 ' H ' ' HG2' ' A' ' 6' ' ' GLN . 2.3 pt20 -81.02 -12.08 59.42 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.886 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.017 HD23 ' HA ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -95.07 -40.19 9.75 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.476 176.078 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.597 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -73.82 -33.75 64.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.739 0.304 . . . . 0.0 111.339 -176.146 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.55 81.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.403 0.62 . . . . 0.0 109.637 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.621 HG23 HG12 ' A' ' 81' ' ' ILE . 1.1 pt -96.62 -3.2 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.57 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.497 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 2.6 t0 -76.72 -26.86 55.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.399 174.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.552 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 43.6 mm-40 -71.82 -21.07 61.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.693 172.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' A' ' 77' ' ' GLU . 80.9 mt -77.9 -41.86 35.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 170.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -57.95 -32.23 67.62 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.416 172.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.635 HD22 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -60.69 -49.32 77.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.253 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.09 -28.29 62.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.13 0.49 . . . . 0.0 110.164 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.524 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -69.04 -49.92 53.27 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.546 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.74 -15.35 61.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.141 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -40.72 37.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.678 176.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.72 ' HB3' HD13 ' A' ' 71' ' ' ILE . 2.8 mtt180 -88.85 -32.84 17.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.161 -178.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 17' ' ' TYR . . . -67.23 -21.23 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.921 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.91 -59.96 6.95 Favored Pre-proline 0 CA--C 1.536 0.42 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.988 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -71.51 -24.57 22.13 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.385 1.39 . . . . 0.0 111.747 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.582 ' O ' ' HG2' ' A' ' 28' ' ' MET . 1.6 t80 -65.92 -45.76 80.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.889 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.555 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 21.1 t30 -68.65 -27.27 65.85 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.267 0.556 . . . . 0.0 110.213 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -75.02 -37.3 61.82 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.697 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -65.86 -56.69 10.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.779 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 24' ' ' PHE . 7.8 ptp -65.52 -31.37 72.4 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.267 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.555 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -69.46 -32.4 71.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 111.049 -179.516 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -87.72 -42.63 12.49 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.596 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -48.41 39.45 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.2 ttm -66.34 -35.83 81.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.31 -177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 2.9 mt-10 -63.71 -37.01 85.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.465 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -69.61 -39.95 76.93 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.77 -36.74 79.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.796 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -88.44 -9.58 52.06 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.04 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -88.89 172.63 9.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.087 0.47 . . . . 0.0 110.859 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.74 106.05 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.288 0.566 . . . . 0.0 110.299 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -63.78 147.21 52.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.534 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 tp -118.31 134.04 63.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.737 173.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.2 m -126.04 163.69 27.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.891 0.377 . . . . 0.0 110.744 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -123.42 -44.93 2.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.433 0.635 . . . . 0.0 109.587 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -119.47 161.51 20.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.69 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.601 HG23 ' N ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -63.77 -30.95 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.771 -179.727 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.601 ' N ' HG23 ' A' ' 44' ' ' ILE . 1.9 mt-10 -56.33 -46.29 79.98 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.379 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.48 -33.62 69.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 0.0 110.302 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.812 HG23 ' HB2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -65.83 -34.61 71.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 -179.541 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 47' ' ' ILE . 3.6 mm-40 -81.87 -31.76 31.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.092 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.9 -32.9 78.29 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 176.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.472 HD11 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -60.79 -39.71 89.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.993 -0.604 . . . . 0.0 110.299 173.23 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 47' ' ' ILE . 4.8 mm -65.76 -45.96 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.307 175.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -58.59 -35.2 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.034 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . -64.43 -28.5 69.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.96 177.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -87.16 -32.68 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.19 176.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.88 -56.5 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.323 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -68.84 -18.27 64.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.558 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 40.7 t80 -64.16 -39.56 94.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.037 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 10.0 mmmm -70.32 -15.24 62.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.468 177.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -91.11 -29.97 16.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.818 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.63 -21.07 45.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.037 0.446 . . . . 0.0 110.703 175.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -57.25 -54.77 51.22 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.656 -176.081 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 9.5 Cg_endo -52.69 -37.54 75.44 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.429 2.086 . . . . 0.0 113.034 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -80.08 -45.91 17.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.643 0.259 . . . . 0.0 110.799 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.84 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . . . -65.33 -27.62 68.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.471 . . . . 0.0 110.681 178.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.88 -32.22 73.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.844 174.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -36.19 64.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.086 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.84 ' HG3' ' HA ' ' A' ' 64' ' ' ALA . 4.7 mm-40 -53.74 -54.98 30.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.454 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.512 ' HB3' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -58.14 -39.91 79.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.54 0.209 . . . . 0.0 111.354 -177.451 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -68.12 -44.62 75.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.079 0.466 . . . . 0.0 110.251 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.27 -2.19 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.3 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.72 HD13 ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -100.78 -39.32 6.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.777 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -33.25 74.78 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.774 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.06 74.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.646 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.9 mt -68.98 -40.91 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.586 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.66 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -69.9 -18.31 63.39 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.889 -177.691 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -61.21 -42.9 99.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.99 0.424 . . . . 0.0 110.702 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.643 ' HA ' ' HG2' ' A' ' 80' ' ' ARG . 6.5 tt0 -83.23 -29.97 28.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.631 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . . . -85.43 1.21 49.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.485 -178.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.443 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -114.83 -34.33 5.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.099 175.676 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.643 ' HG2' ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -57.56 -33.25 67.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.387 0.429 . . . . 0.0 111.111 -175.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.621 HG12 HG23 ' A' ' 10' ' ' ILE . 2.2 pp -63.35 -36.01 74.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 110.6 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' CB ' HD11 ' A' ' 89' ' ' LEU . . . -82.34 -22.71 35.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.197 0.522 . . . . 0.0 110.715 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 31.4 mm-40 -74.46 -32.87 62.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.91 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -85.8 -41.39 15.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.451 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.84 130.42 53.94 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -74.45 70.57 1.75 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.321 0.582 . . . . 0.0 110.753 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.538 HD13 ' HG ' ' A' ' 89' ' ' LEU . 1.6 pt -77.87 179.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.981 177.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -107.9 78.96 1.23 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.056 -175.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.538 ' HG ' HD13 ' A' ' 87' ' ' ILE . 1.2 mt -68.34 120.18 14.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.859 173.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.53 136.09 56.68 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.78 -49.38 74.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.15 -0.547 . . . . 0.0 112.524 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -25.87 54.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.544 0.212 . . . . 0.0 110.993 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.79 147.24 0.11 Allowed Pre-proline 0 N--CA 1.467 0.396 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.421 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.2 -52.79 7.01 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.881 2.387 . . . . 0.0 112.561 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.635 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -129.71 -31.83 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.342 0.591 . . . . 0.0 110.67 -178.443 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.4 72.38 7.02 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.764 -172.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -88.89 48.52 1.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.193 0.997 . . . . 0.0 110.68 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.31 101.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.247 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.58 150.42 93.59 Favored Pre-proline 0 N--CA 1.448 -0.56 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.66 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 73.2 Cg_endo -74.04 18.6 0.45 Allowed 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.598 2.199 . . . . 0.0 113.193 -176.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.01 -53.63 1.63 Allowed 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -177.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.564 HD12 ' HE3' ' A' ' 106' ' ' LYS . 0.0 OUTLIER -50.17 -43.14 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.35 175.434 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.496 HG21 ' N ' ' A' ' 104' ' ' ASN . 1.2 tt -71.98 -33.6 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.162 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.496 ' N ' HG21 ' A' ' 103' ' ' ILE . 1.0 OUTLIER -78.26 -42.86 29.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.451 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.4 m -59.76 -41.21 90.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.651 173.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.564 ' HE3' HD12 ' A' ' 102' ' ' ILE . 0.2 OUTLIER -63.91 -37.46 87.48 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.971 178.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.538 ' CZ3' ' HB3' ' A' ' 64' ' ' ALA . 60.8 t-105 -62.13 -42.55 99.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.279 175.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.86 -34.49 77.47 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.575 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -42.99 96.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.025 175.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 77.1 t -59.95 -45.8 94.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.219 177.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -56.57 -45.59 81.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.864 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -79.62 -17.1 54.57 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -174.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.52 -14.13 38.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.756 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 77.4 t -59.76 -57.13 29.09 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.42 178.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.756 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 32.2 Cg_exo -60.35 -34.75 93.17 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.599 2.199 . . . . 0.0 112.744 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -61.16 -54.35 45.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.111 0.482 . . . . 0.0 110.419 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.537 ' HG3' HD13 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -67.62 -28.84 68.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.544 178.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.93 -32.4 73.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -83.01 -40.66 19.67 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.22 87.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.415 0.447 . . . . 0.0 110.499 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.537 HD13 ' HG3' ' A' ' 117' ' ' ARG . 18.0 mt -63.89 -50.85 67.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.717 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.28 9.98 3.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.759 -176.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.802 ' HG3' ' HZ3' ' A' ' 127' ' ' LYS . 4.6 tp10 -109.1 -36.46 6.06 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.173 0.511 . . . . 0.0 109.778 173.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -33.64 16.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.655 -176.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.812 ' HB2' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.18 -29.03 67.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.12 0.486 . . . . 0.0 110.475 -178.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.474 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -81.21 -8.88 59.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.497 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.802 ' HZ3' ' HG3' ' A' ' 123' ' ' GLU . 4.5 mttt -93.31 -5.24 50.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.029 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.506 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 1.5 mm-40 -87.29 -135.15 0.08 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.304 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.506 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.966 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.247 -0.341 . . . . 0.0 112.247 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.762 ' HB2' ' HG3' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -85.12 -10.54 56.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.927 0.394 . . . . 0.0 111.195 -178.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.596 ' HA ' ' HG3' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 62.01 27.44 16.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.969 177.604 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.901 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -87.1 -40.83 14.3 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 121.177 0.513 . . . . 0.0 110.17 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -73.11 -29.42 62.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.723 0.773 . . . . 0.0 108.987 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.596 ' HG3' ' HA ' ' A' ' 3' ' ' THR . 0.7 OUTLIER -79.14 -11.48 59.98 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.994 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.901 HD21 ' HA ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -103.34 -35.78 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.113 0.482 . . . . 0.0 110.106 175.364 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -70.87 -36.75 72.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.048 -178.51 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.89 -34.84 76.08 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.304 0.573 . . . . 0.0 109.912 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.558 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -81.37 -15.57 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.558 -179.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.534 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 9.7 t70 -78.51 -24.13 45.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.527 171.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 10.6 mm-40 -73.5 -35.25 65.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.709 175.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.81 HD11 ' HB3' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -85.97 -10.63 54.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.012 174.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.7 OUTLIER -59.56 -34.0 72.13 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 169.036 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.749 HD11 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -63.2 -36.37 83.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.973 177.273 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.0 -34.16 77.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.396 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.405 ' CD1' HG22 ' A' ' 96' ' ' THR . 1.6 t80 -66.18 -44.19 84.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 175.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.531 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -77.05 -4.39 44.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.866 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.63 -17.91 14.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.04 0.448 . . . . 0.0 111.075 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.513 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -105.09 -41.57 5.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.664 179.21 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 98' ' ' VAL . . . -72.3 -13.32 61.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.796 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.44 -54.85 2.98 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.584 -176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -67.01 -29.02 41.1 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.61 1.54 . . . . 0.0 110.773 174.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.538 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.4 t80 -65.13 -44.98 86.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.408 177.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -70.74 -27.64 64.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.408 0.623 . . . . 0.0 109.787 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.63 -39.0 77.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.937 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -68.17 -50.07 56.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.315 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.538 ' HG3' ' O ' ' A' ' 24' ' ' PHE . 6.3 mtt -50.26 -45.54 54.34 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.682 0.614 . . . . 0.0 111.581 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -62.56 -56.7 15.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.697 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -63.37 -33.16 74.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.683 -175.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB3' ' HE1' ' A' ' 57' ' ' PHE . . . -73.12 -53.65 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 110.997 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.617 ' HE2' ' HB2' ' A' ' 109' ' ' LYS . 9.9 ttm -64.48 -31.9 73.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.144 -177.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.6 -38.63 80.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.53 -32.25 69.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.48 0.657 . . . . 0.0 110.007 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -77.18 -29.18 54.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.996 -177.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.39 -37.7 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.795 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -85.34 176.07 8.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.382 0.611 . . . . 0.0 111.81 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -101.43 160.35 14.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.444 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -119.43 123.77 44.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.758 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.4 tp -87.98 129.83 38.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.241 0.543 . . . . 0.0 110.304 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 m -126.74 160.14 35.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.43 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -119.4 -48.25 2.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.7 p -125.15 173.8 8.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.233 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.726 HG22 ' HB3' ' A' ' 128' ' ' GLN . 0.5 OUTLIER -69.21 -23.22 26.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.847 179.427 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' N ' HG13 ' A' ' 44' ' ' ILE . 13.3 mt-10 -60.36 -38.69 84.65 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.806 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.18 -18.74 33.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.512 ' HB ' ' HA ' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -63.67 -45.53 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.755 176.63 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -74.51 -25.53 59.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.332 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.08 -40.57 56.29 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -41.93 96.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.148 0.499 . . . . 0.0 110.311 176.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 47' ' ' ILE . 29.7 mt -67.33 -33.33 61.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.723 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.5 m -61.63 -29.18 69.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.681 175.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.62 -15.63 63.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.269 0.557 . . . . 0.0 110.831 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.47 ' O ' ' HB3' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -101.38 -13.08 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.484 174.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -84.36 -45.49 12.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.17 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -22.52 67.01 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.521 0.677 . . . . 0.0 109.483 172.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.47 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 67.7 t80 -62.38 -33.94 75.73 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.968 175.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HE3' HD12 ' A' ' 61' ' ' LEU . 8.3 mmmm -79.39 -6.62 57.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.547 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -94.05 -33.13 13.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.833 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -39.68 56.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 2.5 mt -47.21 -55.75 14.71 Favored Pre-proline 0 N--CA 1.47 0.531 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -175.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.4 Cg_endo -52.71 -38.48 77.06 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.474 2.116 . . . . 0.0 112.997 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.62 -28.93 17.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.884 0.374 . . . . 0.0 110.737 -176.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.479 ' HB1' ' CZ3' ' A' ' 107' ' ' TRP . . . -69.68 -37.48 76.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.219 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 4.9 t70 -64.32 -44.47 91.47 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 174.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -41.11 89.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.117 176.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -51.51 62.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.016 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -61.52 -35.86 78.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.727 0.298 . . . . 0.0 110.981 -178.743 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -71.81 -37.28 70.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 0.0 110.383 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.66 -14.26 59.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.9 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -87.8 -37.7 11.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.361 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -27.98 68.21 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.239 171.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.1 -40.43 82.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.777 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.3 mt -66.87 -43.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.335 0.588 . . . . 0.0 110.271 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -21.38 64.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.71 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -66.51 -36.08 81.83 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.497 0.665 . . . . 0.0 109.612 175.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.81 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -78.24 -26.52 47.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.088 178.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.6 ' HB1' HD12 ' A' ' 13' ' ' LEU . . . -102.04 -2.54 29.34 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -43.66 3.64 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.794 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.19 -21.41 65.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.152 -171.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.42 HG23 HG23 ' A' ' 10' ' ' ILE . 2.4 pp -66.16 -33.46 63.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.259 0.552 . . . . 0.0 110.066 176.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.57 -32.47 23.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.02 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.04 -31.61 66.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.049 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.8 m -74.44 -27.37 60.57 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.96 0.409 . . . . 0.0 110.894 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -105.96 -153.63 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -141.24 38.48 1.74 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 169.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.568 HG23 HG23 ' A' ' 3' ' ' THR . 3.2 pt -76.62 168.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.679 -174.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.01 79.71 1.3 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.615 -176.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' ' 89' ' ' LEU . 6.2 mt -59.85 -18.77 46.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.451 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m 71.08 -73.13 0.1 Allowed 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.349 0.659 . . . . 0.0 110.986 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -120.7 123.07 5.45 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.283 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.4 m -67.5 -22.36 65.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.175 0.512 . . . . 0.0 110.05 176.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -126.57 73.05 74.18 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.398 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.05 -25.44 8.77 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.049 1.833 . . . . 0.0 112.084 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.749 ' CD2' HD11 ' A' ' 15' ' ' LEU . 20.5 m-30 -119.05 -49.79 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.158 0.504 . . . . 0.0 110.794 -174.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.777 ' HG1' HG22 ' A' ' 98' ' ' VAL . 1.5 t -110.63 120.46 42.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.886 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.8 m -55.86 -41.72 74.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -176.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.777 HG22 ' HG1' ' A' ' 96' ' ' THR . 9.3 m -52.79 122.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.904 0.859 . . . . 0.0 113.223 -174.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.512 ' OG1' HD12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -91.56 154.76 44.23 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.902 167.308 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.503 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 86.8 Cg_exo -49.15 -40.77 42.16 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.987 2.458 . . . . 0.0 112.984 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -69.16 -39.06 79.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.852 0.358 . . . . 0.0 110.576 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -63.78 -46.62 93.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.18 178.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -33.5 46.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.551 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 t-20 -72.61 -51.04 21.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 110.6 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.2 m -61.63 -35.96 79.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.57 ' HG3' ' HE1' ' A' ' 32' ' ' MET . 0.1 OUTLIER -59.92 -44.28 94.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.598 0.237 . . . . 0.0 110.498 178.484 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.479 ' CZ3' ' HB1' ' A' ' 64' ' ' ALA . 61.3 t-105 -60.88 -41.77 96.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.297 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -63.51 -39.37 94.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.617 ' HB2' ' HE2' ' A' ' 32' ' ' MET . 14.1 mmtt -70.5 -36.42 73.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.382 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.463 HG21 ' HE3' ' A' ' 32' ' ' MET . 2.8 t -62.56 -48.54 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -61.97 -40.44 95.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -75.59 -22.39 56.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.892 -175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -86.62 -10.19 54.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.328 0.585 . . . . 0.0 110.579 178.329 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.443 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 4.7 t -68.61 -51.33 22.43 Favored Pre-proline 0 N--CA 1.448 -0.528 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.321 -176.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 37.3 Cg_endo -65.89 -23.4 54.86 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 122.121 1.881 . . . . 0.0 112.107 178.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -70.5 -49.7 45.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.716 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.529 ' HG3' HD12 ' A' ' 121' ' ' LEU . 4.5 tpt180 -65.25 -36.86 85.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.216 175.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.442 ' OD1' ' HD2' ' A' ' 54' ' ' HIS . 0.5 OUTLIER -58.37 -35.97 72.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.531 175.475 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -73.99 -41.1 62.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.541 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.82 90.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.41 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.529 HD12 ' HG3' ' A' ' 117' ' ' ARG . 9.1 mt -66.48 -43.63 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.871 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' ' 125' ' ' GLN . 0.4 OUTLIER -69.7 -36.06 75.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.62 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -45.64 68.52 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.2 177.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.647 ' HA ' ' HG3' ' A' ' 127' ' ' LYS . 0.5 OUTLIER -69.17 -34.51 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.736 -177.448 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 122' ' ' LEU . 3.2 pt20 -66.05 -33.53 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.5 m -78.34 -9.54 59.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.452 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.647 ' HG3' ' HA ' ' A' ' 124' ' ' GLU . 1.5 mmmm -80.55 -14.14 58.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.226 0.536 . . . . 0.0 109.596 170.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.726 ' HB3' HG22 ' A' ' 44' ' ' ILE . 43.7 mm-40 -100.16 -153.48 0.45 Allowed 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.525 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.691 -0.671 . . . . 0.0 110.106 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.197 -0.361 . . . . 0.0 112.197 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m 67.53 12.19 8.76 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.162 0.585 . . . . 0.0 112.211 176.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.49 ' O ' ' HG3' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -80.64 -32.18 36.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.214 0.53 . . . . 0.0 109.953 176.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.856 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -61.48 -27.6 68.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.218 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -82.36 -38.65 23.89 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.616 -175.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -81.3 -7.25 59.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.166 -176.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.856 HD23 ' HA ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -103.06 -36.85 8.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.122 174.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.554 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -80.85 -30.41 35.68 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.625 -176.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.82 75.58 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.367 0.603 . . . . 0.0 109.651 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.569 ' HA ' HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -85.29 -10.9 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.813 179.102 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.485 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -72.0 -27.82 62.99 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 173.382 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -68.03 -33.17 74.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.383 173.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.569 HD11 ' HA ' ' A' ' 10' ' ' ILE . 14.4 mt -74.19 -32.47 63.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.519 173.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 27.7 m170 -59.82 -37.11 78.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.617 174.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.688 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -58.25 -47.49 83.42 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.997 174.702 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -61.87 -34.54 76.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.969 0.414 . . . . 0.0 110.541 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.463 ' HB3' ' ND2' ' A' ' 93' ' ' ASN . 2.4 t80 -65.2 -44.27 88.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.602 ' HA ' HG21 ' A' ' 96' ' ' THR . . . -72.52 -15.7 61.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.47 -179.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -22.04 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.773 0.321 . . . . 0.0 111.437 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -106.1 -36.79 6.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.238 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.55 -20.67 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.785 0.326 . . . . 0.0 110.556 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.53 -57.65 3.31 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.868 -175.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.86 -24.42 40.16 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.592 1.528 . . . . 0.0 111.422 177.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.542 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -70.34 -42.6 71.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.007 175.755 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -64.83 -34.08 77.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 109.53 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -69.61 -36.95 76.65 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.649 -1.159 . . . . 0.0 109.642 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -70.96 -51.24 26.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.061 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.409 ' HE1' ' CZ ' ' A' ' 24' ' ' PHE . 43.4 mtt -53.24 -47.51 68.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.606 -178.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -45.31 83.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.053 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -69.51 -39.34 77.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.017 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.29 -49.46 60.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.737 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.455 ' HE3' HG21 ' A' ' 110' ' ' VAL . 32.3 ttm -57.63 -44.13 85.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.42 178.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -59.25 -48.38 81.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.592 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.58 -25.79 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.274 0.559 . . . . 0.0 110.33 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.66 -24.11 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.739 -176.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -21.09 14.63 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.466 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -61.75 127.02 29.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.956 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.41 91.39 1.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.225 0.536 . . . . 0.0 110.341 179.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -64.52 133.46 52.43 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.525 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.552 ' O ' HG21 ' A' ' 40' ' ' ILE . 3.2 tp -107.52 135.23 46.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 174.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.538 HG23 HG12 ' A' ' 47' ' ' ILE . 7.9 m -121.25 145.4 27.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.049 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -113.44 -47.29 3.01 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.4 p -112.35 170.44 8.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.355 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.537 HG21 ' HG3' ' A' ' 129' ' ' GLN . 0.5 OUTLIER -73.34 -25.6 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.953 0.406 . . . . 0.0 109.953 178.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.482 ' N ' HG13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -51.74 -53.29 41.22 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.391 176.638 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -72.92 -28.65 62.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.9 -177.784 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.579 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -67.83 -37.33 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.989 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' N ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -77.86 -34.86 51.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.519 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.62 -32.6 71.07 Favored Glycine 0 N--CA 1.452 -0.291 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -61.0 -37.51 82.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.027 -0.586 . . . . 0.0 110.544 175.172 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 47' ' ' ILE . 5.0 mm -66.82 -41.55 87.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.505 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 1.2 m -59.03 -25.69 63.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.906 178.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.01 2.97 11.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.47 0.653 . . . . 0.0 111.248 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.425 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -116.36 -23.71 8.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.404 167.701 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.67 -47.26 79.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.066 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.561 ' HG3' ' O ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -80.41 -17.65 51.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.149 0.499 . . . . 0.0 110.138 176.879 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CE1' HG22 ' A' ' 114' ' ' VAL . 29.6 t80 -69.11 -42.29 76.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.838 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.595 ' HE3' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -62.13 -22.09 65.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.967 175.816 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -33.01 22.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.156 0.503 . . . . 0.0 110.2 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.66 -19.82 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.3 178.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.595 HD13 ' HE3' ' A' ' 58' ' ' LYS . 1.9 mt -58.21 -57.43 26.12 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.32 -28.22 78.56 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 121.743 1.629 . . . . 0.0 111.937 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -75.4 -45.3 39.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.617 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.422 ' HB1' ' CZ3' ' A' ' 107' ' ' TRP . . . -73.55 -34.07 65.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.654 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.489 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 30.6 t70 -61.55 -37.02 82.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.213 0.53 . . . . 0.0 109.735 175.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -45.06 96.26 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.256 175.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -59.6 -42.68 93.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.663 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.542 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 3.6 ttp85 -58.15 -47.58 82.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.714 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.36 -39.24 94.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 0.0 110.399 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.72 -16.19 61.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.851 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -81.37 -39.85 17.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.768 HD13 ' HB3' ' A' ' 100' ' ' PRO . 0.3 OUTLIER -69.7 -23.3 63.41 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.773 171.838 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -72.22 -33.52 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.075 176.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.3 mt -70.88 -45.94 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.045 175.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.514 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -69.87 -13.18 62.13 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.152 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -57.78 -48.8 78.65 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.823 0.344 . . . . 0.0 110.545 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -83.95 -27.6 28.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.283 0.563 . . . . 0.0 109.842 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.531 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -85.35 -1.14 56.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.029 -176.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -121.96 -40.43 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.465 177.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -58.81 -29.61 66.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.665 -174.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.481 HG12 HG23 ' A' ' 10' ' ' ILE . 2.6 pp -65.84 -30.76 51.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.185 0.517 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.22 -30.84 22.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.421 0.629 . . . . 0.0 109.651 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -74.58 -27.64 60.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.804 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 p -80.24 -22.31 41.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.988 0.423 . . . . 0.0 110.425 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.442 ' HB3' ' H ' ' A' ' 86' ' ' HIS . 39.2 m-80 -100.23 -155.69 0.52 Allowed 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 177.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.442 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 1.4 m-70 -140.95 39.61 1.8 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 171.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.679 HD13 ' HG ' ' A' ' 89' ' ' LEU . 32.0 pt -78.76 170.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.287 -174.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -118.58 81.06 1.63 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.768 -176.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.679 ' HG ' HD13 ' A' ' 87' ' ' ILE . 8.2 mt -74.55 -22.0 59.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.683 178.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 m 60.95 53.52 3.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.876 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.56 175.57 13.88 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.25 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -26.31 22.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.1 0.476 . . . . 0.0 110.504 178.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.728 ' HB3' ' O ' ' A' ' 96' ' ' THR . 25.3 t-20 -163.54 129.99 2.35 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.983 -176.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.2 -33.26 3.57 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 123.403 2.735 . . . . 0.0 112.759 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.688 ' CD2' HD13 ' A' ' 15' ' ' LEU . 15.1 m-85 -83.01 -43.88 15.87 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.539 -176.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.728 ' O ' ' HB3' ' A' ' 93' ' ' ASN . 12.3 t -131.43 104.09 6.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.441 0.639 . . . . 0.0 110.753 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.15 72.68 9.2 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.289 -0.882 . . . . 0.0 111.531 -177.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.64 116.78 50.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.707 177.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 64.3 p -77.12 157.85 80.62 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.049 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.768 ' HB3' HD13 ' A' ' 72' ' ' LEU . 45.2 Cg_exo -58.14 -22.78 58.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.536 2.158 . . . . 0.0 111.112 175.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -80.93 -40.66 24.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.198 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.5 mt -59.36 -51.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.045 176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.595 HG23 ' N ' ' A' ' 104' ' ' ASN . 1.2 tp -65.31 -33.51 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.879 -178.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.595 ' N ' HG23 ' A' ' 103' ' ' ILE . 1.5 m-20 -79.16 -49.19 12.97 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.288 -0.257 . . . . 0.0 111.0 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.3 m -62.71 -34.55 77.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.426 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -65.16 -42.13 94.01 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.579 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.0 t-105 -61.34 -44.42 97.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.019 175.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -41.65 86.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.718 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.425 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 8.0 tttt -67.44 -37.65 83.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.793 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.455 HG21 ' HE3' ' A' ' 32' ' ' MET . 3.0 t -63.9 -48.87 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.227 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 6.2 mm100 -60.01 -43.68 95.06 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.041 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 1.7 pt20 -73.83 -10.93 60.17 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.21 -8.45 29.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.443 0.64 . . . . 0.0 110.198 176.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.612 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 16.2 t -68.82 -54.73 12.29 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.973 -177.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.612 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 21.8 Cg_exo -66.41 -24.95 49.19 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 122.184 1.922 . . . . 0.0 111.68 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -65.13 -49.09 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.809 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.536 ' HG3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -65.84 -38.28 88.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.276 176.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -29.77 70.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.123 0.487 . . . . 0.0 110.495 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -74.43 -42.4 59.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.656 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.45 87.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.471 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.536 HD11 ' HG3' ' A' ' 117' ' ' ARG . 15.9 mt -64.71 -42.64 95.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.552 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.606 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -61.79 -42.86 99.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -47.59 84.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.101 0.477 . . . . 0.0 110.555 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -39.49 80.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.433 -176.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.606 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -71.26 -25.08 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.818 0.342 . . . . 0.0 110.657 179.194 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.7 m -78.8 -17.4 55.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.982 0.42 . . . . 0.0 110.565 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.46 -9.82 59.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.105 0.479 . . . . 0.0 110.216 176.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.476 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 17.8 mm-40 -104.33 -138.93 0.36 Allowed 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.546 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.537 ' HG3' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.632 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.928 0 N-CA-C 112.36 -0.296 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -179.46 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.17 0.588 . . . . 0.0 109.54 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.752 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -57.83 -43.66 85.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.756 -176.794 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.592 ' HA ' HD11 ' A' ' 7' ' ' LEU . 1.8 mp0 -58.42 -29.05 65.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.863 -174.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.611 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 1.3 pttt -83.88 -27.16 28.85 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -176.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.493 ' OE1' ' HA ' ' A' ' 3' ' ' THR . 46.8 mt-30 -73.26 -36.25 66.34 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 173.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.752 ' HG ' ' O ' ' A' ' 3' ' ' THR . 9.2 mt -73.59 -42.38 61.65 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.722 -178.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.592 ' HA ' ' HB2' ' A' ' 11' ' ' ASP . 2.6 tt0 -78.24 -22.93 47.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.204 -176.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.611 ' HB1' ' O ' ' A' ' 5' ' ' LYS . . . -69.75 -39.35 76.8 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 7' ' ' LEU . 1.5 pp -85.47 -12.09 11.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.469 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.592 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 0.9 OUTLIER -70.48 -26.96 63.86 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 173.373 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -67.7 -33.79 75.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.37 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.553 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -80.27 -24.33 40.15 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 174.348 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 8.9 m170 -58.98 -32.84 70.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.935 175.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.608 HD11 ' CD2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -61.91 -41.39 97.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.611 175.199 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.41 -33.56 75.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.698 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.521 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 1.9 t80 -66.61 -42.0 87.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 -19.23 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.6 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -16.33 23.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.788 0.328 . . . . 0.0 111.305 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 15.9 mtt180 -107.45 -39.65 5.58 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.577 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 17' ' ' TYR . . . -69.0 -19.56 64.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.701 0.286 . . . . 0.0 110.621 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -58.39 6.06 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.554 -177.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.67 -26.63 45.79 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.565 1.51 . . . . 0.0 111.593 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -69.13 -40.93 77.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.281 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.608 ' HA ' ' HE3' ' A' ' 28' ' ' MET . 38.9 t30 -69.73 -29.6 67.02 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.523 0.678 . . . . 0.0 109.832 178.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -72.36 -37.87 68.7 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.496 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -67.55 -50.92 56.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.882 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.608 ' HE3' ' HA ' ' A' ' 25' ' ' ASN . 37.8 mtm -57.43 -40.42 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.862 -177.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -64.91 -48.7 73.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.118 179.802 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.0 m -68.45 -38.61 81.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.67 0.271 . . . . 0.0 111.258 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.69 -50.79 55.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.0 110.74 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.562 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 15.1 ttm -63.73 -27.06 68.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.602 178.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 1.1 tt0 -64.52 -45.74 85.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.177 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -69.76 -47.91 61.24 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.532 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.482 HD11 ' N ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -62.21 -28.35 69.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.304 -173.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.562 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -80.03 -33.57 39.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.411 . . . . 0.0 111.414 177.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.13 151.32 23.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.272 0.558 . . . . 0.0 111.836 -173.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.9 121.18 32.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.833 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -70.64 136.21 48.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.983 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.561 ' O ' HG21 ' A' ' 40' ' ' ILE . 5.4 tp -109.27 133.81 53.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.834 173.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.1 m -126.82 150.64 32.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.168 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -112.69 -48.66 2.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.13 0.49 . . . . 0.0 109.797 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.1 p -109.55 168.85 9.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.273 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -71.41 -31.79 44.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.174 0.512 . . . . 0.0 110.323 178.629 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.86 -41.54 61.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.141 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.13 -34.34 72.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.613 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.718 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -64.5 -40.28 88.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' N ' HG23 ' A' ' 47' ' ' ILE . 6.3 mt-10 -62.66 -36.19 82.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.165 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.5 -40.07 40.21 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -55.22 -46.91 75.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.011 -0.595 . . . . 0.0 111.073 175.232 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.718 HG12 ' O ' ' A' ' 47' ' ' ILE . 8.5 mm -63.22 -48.04 89.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.275 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.0 m -58.94 -39.25 81.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.46 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.15 93.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.792 0.329 . . . . 0.0 110.99 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.44 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 4.5 t60 -76.85 -31.47 56.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.334 177.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.5 -52.6 51.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.997 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.93 -20.36 64.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.552 0.692 . . . . 0.0 109.996 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.428 ' HD1' ' HD2' ' A' ' 58' ' ' LYS . 14.7 t80 -67.5 -40.09 85.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.666 175.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 54' ' ' HIS . 11.9 mmmm -65.63 -17.59 64.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.959 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.49 -30.88 17.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.079 178.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -74.87 -24.29 58.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.533 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' HB2' ' HD3' ' A' ' 62' ' ' PRO . 1.8 mt -56.69 -57.23 25.13 Favored Pre-proline 0 C--O 1.221 -0.42 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.138 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 51.1 Cg_exo -56.34 -34.14 93.31 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.966 1.777 . . . . 0.0 112.235 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -67.03 -54.61 19.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.213 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 107' ' ' TRP . . . -69.39 -27.34 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.253 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 34.2 t70 -68.97 -27.97 66.2 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.273 0.559 . . . . 0.0 110.285 177.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -28.18 40.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.061 0.457 . . . . 0.0 109.905 173.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.414 ' OE1' ' HD3' ' A' ' 20' ' ' ARG . 5.6 mm-40 -68.89 -43.53 75.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.207 178.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 6.2 ptm180 -59.42 -35.26 73.65 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 120.813 0.34 . . . . 0.0 110.486 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -73.98 -37.91 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.293 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.15 -22.63 62.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.195 0.522 . . . . 0.0 110.885 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.71 -39.06 15.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -69.24 -26.73 64.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.372 174.239 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.83 78.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.52 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.4 mt -65.62 -47.89 84.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.517 0.675 . . . . 0.0 109.791 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -67.81 -16.84 64.3 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.906 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -37.29 82.4 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 122.17 -0.331 . . . . 0.0 110.801 -177.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -92.38 -29.38 16.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.341 0.591 . . . . 0.0 109.873 177.619 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.406 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . . . -92.92 -0.34 57.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.715 -173.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.6 OUTLIER -119.33 -43.4 2.62 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.282 176.286 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.7 OUTLIER -56.9 -28.83 62.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.173 -175.039 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.46 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 2.5 pp -63.51 -33.58 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.191 0.519 . . . . 0.0 110.637 178.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.624 ' HA ' HG22 ' A' ' 87' ' ' ILE . . . -87.61 -7.96 56.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.14 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -98.16 -13.31 20.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.176 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.4 m -83.71 -28.48 28.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.622 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.77 171.42 12.25 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -81.54 55.33 2.61 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 172.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.624 HG22 ' HA ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -95.36 130.34 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.292 -174.155 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.5 91.52 2.94 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.687 -177.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -53.64 -54.74 33.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.588 179.535 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.69 -44.0 0.11 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.758 0.79 . . . . 0.0 108.893 177.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.58 -152.67 9.32 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.399 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.41 -34.55 77.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.15 0.5 . . . . 0.0 110.843 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.611 ' HB2' ' O ' ' A' ' 96' ' ' THR . 0.2 OUTLIER -141.4 124.27 9.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.16 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -86.84 -49.08 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.748 2.299 . . . . 0.0 113.817 -175.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.608 ' CD2' HD11 ' A' ' 15' ' ' LEU . 23.2 m-85 -99.76 -59.6 1.69 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.714 0.292 . . . . 0.0 110.987 -173.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.611 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 7.4 t -96.72 147.19 24.17 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.25 61.45 1.72 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.827 0.823 . . . . 0.0 111.76 -176.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.3 m -134.7 153.45 35.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.326 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.8 p -124.44 166.62 18.76 Favored Pre-proline 0 C--N 1.316 -0.854 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.6 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 49.5 Cg_exo -57.42 -24.86 63.05 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.25 1.967 . . . . 0.0 111.531 173.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -79.15 -48.26 14.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.055 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 mt -57.12 -44.41 83.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.113 0.482 . . . . 0.0 110.569 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.549 HG22 ' N ' ' A' ' 104' ' ' ASN . 0.2 OUTLIER -69.27 -35.33 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.453 -179.73 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.6 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 t-20 -77.04 -49.54 15.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.203 -177.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.6 p -54.61 -40.46 68.91 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.785 0.326 . . . . 0.0 111.223 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -66.91 -47.55 71.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.991 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 64' ' ' ALA . 67.0 t-105 -57.92 -42.21 84.32 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.989 0.424 . . . . 0.0 110.283 177.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.1 -46.35 90.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.682 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -37.08 85.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.415 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.552 ' O ' HG21 ' A' ' 114' ' ' VAL . 3.0 t -62.74 -48.81 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.188 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.47 ' NE2' HD13 ' A' ' 61' ' ' LEU . 13.0 mm-40 -61.28 -42.2 98.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.695 -177.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -74.52 -21.91 59.3 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 mt -88.08 -10.52 49.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.342 0.591 . . . . 0.0 110.561 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 110' ' ' VAL . 16.3 t -68.31 -52.18 22.34 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.716 -175.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.502 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 34.9 Cg_exo -61.1 -35.48 86.42 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.307 2.004 . . . . 0.0 112.206 178.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -62.9 -47.75 81.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 110.307 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.468 ' HG3' HD13 ' A' ' 121' ' ' LEU . 6.1 tpp85 -65.41 -36.68 84.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.565 177.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.55 -30.56 71.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.238 0.542 . . . . 0.0 110.352 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -78.81 -44.84 22.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.41 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.688 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.468 HD13 ' HG3' ' A' ' 117' ' ' ARG . 30.3 mt -61.61 -49.97 74.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.654 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.692 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 9.5 mt -61.36 -45.65 93.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.76 -42.2 92.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.235 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.96 -35.46 43.07 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.659 0.266 . . . . 0.0 111.587 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.692 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.1 OUTLIER -69.98 -25.82 63.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.737 0.303 . . . . 0.0 110.739 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.5 m -73.95 -11.08 60.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.856 0.36 . . . . 0.0 110.754 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -93.47 -5.23 49.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.926 0.394 . . . . 0.0 110.453 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -88.77 -128.72 0.07 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.495 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.254 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 112.245 -0.342 . . . . 0.0 112.245 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 m 74.14 -40.98 0.47 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.68 0.792 . . . . 0.0 112.493 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -33.9 71.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.737 0.303 . . . . 0.0 111.633 -178.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.681 ' HA ' HD21 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -75.94 -11.87 60.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.06 0.457 . . . . 0.0 110.468 -179.451 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -99.35 -24.43 14.82 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.642 -0.874 . . . . 0.0 108.642 178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -66.59 -45.87 77.8 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.364 170.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.681 HD21 ' HA ' ' A' ' 4' ' ' GLU . 3.6 pp -73.3 -31.59 64.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.787 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -75.39 -28.75 59.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.978 0.418 . . . . 0.0 110.318 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.94 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.216 0.531 . . . . 0.0 109.906 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.59 HD11 HD13 ' A' ' 81' ' ' ILE . 1.3 pp -77.87 -11.55 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.411 178.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.0 OUTLIER -70.74 -26.37 63.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.698 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -73.58 -27.15 61.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.328 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 50.4 mt -72.58 -36.26 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 170.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 41.1 m170 -59.49 -38.15 80.11 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.647 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.64 HD12 ' CD2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.78 -46.86 86.55 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.745 173.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -66.56 -31.03 71.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.044 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.595 ' HB3' HG21 ' A' ' 96' ' ' THR . 1.6 t80 -71.73 -45.15 62.68 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.21 -24.81 63.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.751 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -34.33 48.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.858 0.361 . . . . 0.0 110.598 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.38 -38.16 16.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.647 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.14 -18.95 64.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.634 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.17 -59.54 9.69 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.933 -177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.45 -27.45 19.08 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.435 1.423 . . . . 0.0 111.893 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.457 ' HE1' ' HB3' ' A' ' 64' ' ' ALA . 0.8 OUTLIER -65.38 -43.99 88.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.008 177.662 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -71.09 -28.31 64.24 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.003 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -66.78 -40.63 88.24 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.608 0.718 . . . . 0.0 109.17 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -65.65 -48.3 72.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.807 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.492 ' HE2' ' O ' ' A' ' 103' ' ' ILE . 26.4 mtt -62.52 -16.73 57.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.599 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -85.12 -65.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.569 0.223 . . . . 0.0 110.501 175.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.9 m -61.78 -43.22 99.28 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.34 74.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 111.084 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.682 ' HE1' ' HB3' ' A' ' 109' ' ' LYS . 16.6 ttm -64.52 -36.44 84.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.602 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -67.39 -37.7 83.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.34 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.25 -34.3 49.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.227 0.537 . . . . 0.0 110.608 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 mp -70.08 -38.17 75.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.814 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -38.99 72.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.855 -178.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.09 143.85 47.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.833 0.349 . . . . 0.0 111.555 -173.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.3 tpt -70.12 127.62 33.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.903 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -85.89 134.65 33.88 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.189 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.524 HG22 ' O ' ' A' ' 40' ' ' ILE . 7.3 tp -104.54 127.2 59.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 121.647 0.737 . . . . 0.0 110.028 176.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.4 m -126.78 148.8 31.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.509 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -124.34 -40.74 2.22 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.902 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 p -113.04 166.53 11.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.479 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.475 HD11 HG21 ' A' ' 47' ' ' ILE . 3.3 tp -65.31 -39.55 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.672 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.18 -38.64 77.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.062 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.6 -52.0 65.11 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.478 0.18 . . . . 0.0 110.879 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.676 ' O ' HG12 ' A' ' 51' ' ' ILE . 1.8 tt -68.01 -29.38 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-O 120.822 0.344 . . . . 0.0 110.146 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -27.63 63.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.82 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.92 -35.68 11.06 Favored Glycine 0 CA--C 1.506 -0.505 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.486 ' HB3' HD23 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -48.87 -46.52 42.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.832 -0.684 . . . . 0.0 111.3 172.403 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.676 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.8 mm -66.49 -36.35 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.204 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.13 -31.25 72.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.004 0.431 . . . . 0.0 110.769 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.71 -24.5 66.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.897 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.43 ' HD2' ' OD1' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -91.17 -28.07 18.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.222 176.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.1 -50.08 69.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.392 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -71.38 -18.76 62.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.902 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -66.57 -36.07 81.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.127 0.489 . . . . 0.0 110.103 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.37 -12.76 61.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.977 177.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.72 -26.63 13.1 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.88 -28.9 29.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.4 . . . . 0.0 110.559 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.415 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 4.2 mt -55.75 -58.13 17.55 Favored Pre-proline 0 C--O 1.221 -0.403 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.098 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 12.4 Cg_endo -55.96 -34.06 90.94 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.193 1.928 . . . . 0.0 112.744 -177.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.54 -48.73 59.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.059 0.457 . . . . 0.0 110.326 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HB3' ' HE1' ' A' ' 24' ' ' PHE . . . -72.05 -31.92 66.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.694 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.405 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 14.8 t70 -64.02 -43.29 96.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.741 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.56 -31.06 72.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.215 0.531 . . . . 0.0 110.285 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -70.38 -32.92 70.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.241 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -33.68 76.15 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.955 0.407 . . . . 0.0 110.252 178.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -35.7 65.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.851 176.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.47 -13.19 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.54 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.0 -37.41 8.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' A' ' 72' ' ' LEU . 9.0 mt -70.92 -23.67 62.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.497 175.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.74 -18.05 65.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.186 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.9 mt -86.91 -36.93 10.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.708 0.766 . . . . 0.0 109.929 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.499 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -71.67 -30.62 65.92 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.798 -174.228 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -62.3 -32.17 72.88 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.013 -176.647 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.473 ' N ' ' HD3' ' A' ' 76' ' ' LYS . 4.3 tp10 -89.24 -31.41 17.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.177 0.513 . . . . 0.0 110.469 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.31 4.8 53.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -175.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -122.91 -51.15 1.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 177.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 ptt-85 -56.88 -29.78 63.26 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.494 0.497 . . . . 0.0 111.119 -173.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.59 HD13 HD11 ' A' ' 10' ' ' ILE . 1.9 pp -56.05 -44.37 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.018 0.437 . . . . 0.0 110.163 177.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.651 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -76.81 -34.78 57.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.482 -176.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.38 2.36 11.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.6 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.3 m -117.08 -1.43 11.9 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.836 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.573 ' ND2' ' HA ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -151.47 -171.88 4.06 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -173.043 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 85.38 1.01 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.408 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.651 HG21 ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -28.84 112.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 O-C-N 124.768 1.292 . . . . 0.0 113.585 177.68 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.32 78.6 1.69 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.121 178.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.53 36.39 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.246 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 m 61.84 33.45 17.65 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.603 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.56 -110.09 2.63 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.853 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.82 -48.3 3.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.002 0.429 . . . . 0.0 110.44 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.19 121.45 4.33 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.863 -175.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.53 -64.29 0.05 OUTLIER 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.575 2.183 . . . . 0.0 111.965 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.64 ' CD2' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -119.88 -41.68 2.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.764 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.595 HG21 ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -77.32 74.15 3.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.624 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 m -61.08 -37.17 81.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.763 0.792 . . . . 0.0 109.737 171.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.44 106.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.37 -1.286 . . . . 0.0 111.109 175.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.54 ' OG1' HD11 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -90.33 163.28 31.8 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.11 176.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.511 ' HD2' HG23 ' A' ' 99' ' ' THR . 81.8 Cg_exo -49.09 -37.49 38.27 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.238 2.625 . . . . 0.0 112.834 177.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -72.9 -35.29 67.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.189 -177.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.54 HD11 ' OG1' ' A' ' 99' ' ' THR . 3.5 mt -63.83 -47.38 91.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.542 HG21 ' N ' ' A' ' 104' ' ' ASN . 0.4 OUTLIER -70.67 -33.51 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.372 -178.695 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.542 ' N ' HG21 ' A' ' 103' ' ' ILE . 5.0 t-20 -76.41 -42.81 42.93 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.039 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.6 p -61.47 -39.78 92.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.808 0.337 . . . . 0.0 110.724 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -63.14 -46.72 85.92 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.58 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.405 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 70.7 t-105 -61.79 -42.55 99.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.397 176.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -62.57 -41.76 99.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.323 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.682 ' HB3' ' HE1' ' A' ' 32' ' ' MET . 0.1 OUTLIER -60.54 -40.96 93.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.471 176.457 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.38 -43.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.377 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -60.63 -44.25 96.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.511 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.51 -11.98 59.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.3 mt -85.89 -15.97 40.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.909 0.385 . . . . 0.0 110.331 178.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.425 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 57.7 t -62.79 -57.82 19.82 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.108 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.425 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 24.6 Cg_endo -63.31 -31.86 73.18 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.171 1.914 . . . . 0.0 112.12 178.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -51.88 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.368 0.604 . . . . 0.0 110.414 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.52 ' HG3' HD12 ' A' ' 121' ' ' LEU . 2.0 tpt180 -70.47 -33.99 71.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.557 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.43 ' OD1' ' HD2' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -62.76 -34.3 76.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.274 0.559 . . . . 0.0 109.919 178.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -72.34 -44.71 62.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.996 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.45 87.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.032 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.52 HD12 ' HG3' ' A' ' 117' ' ' ARG . 38.9 mt -70.82 -50.26 37.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.368 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.497 ' HA ' HD11 ' A' ' 122' ' ' LEU . 0.9 OUTLIER -77.73 0.39 23.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.844 -175.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.09 -14.13 16.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.144 0.497 . . . . 0.0 109.757 172.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.501 ' HB3' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -102.84 -48.23 4.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.357 -174.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.49 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -67.79 -20.11 65.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.719 -174.553 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.44 -20.26 58.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.856 0.36 . . . . 0.0 110.784 178.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 5.47 50.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.01 0.434 . . . . 0.0 110.405 178.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 125' ' ' GLN . 4.0 mm-40 -84.56 -130.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.31 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.407 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 1.2 pt20 . . . . . 0 C--O 1.247 0.922 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.498 ' HB2' ' HG2' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -80.16 75.63 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.261 0.553 . . . . 0.0 110.809 179.095 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.7 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -65.59 -48.03 73.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.494 -177.64 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.724 ' HA ' HD11 ' A' ' 7' ' ' LEU . 26.0 pm0 -60.93 -28.74 69.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.99 -172.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.499 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -85.04 -20.44 30.43 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -174.437 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.468 ' O ' HG12 ' A' ' 10' ' ' ILE . 15.5 mm100 -84.95 -28.37 25.9 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.545 174.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.724 HD11 ' HA ' ' A' ' 4' ' ' GLU . 11.8 mt -73.74 -50.41 20.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.632 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.7 -31.41 41.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.114 -169.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 5' ' ' LYS . . . -72.41 -34.35 67.79 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.594 -176.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 6' ' ' GLN . 1.1 pp -87.63 -16.04 9.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.254 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 5.7 t70 -73.23 -27.42 61.59 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.04 176.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -74.31 -7.83 54.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.905 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -113.33 -5.51 13.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 170.652 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -61.92 -39.91 93.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.832 177.557 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.808 HD13 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -71.55 -21.47 61.88 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.32 -176.616 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.548 ' N ' HD21 ' A' ' 15' ' ' LEU . 4.4 tp10 -66.84 -40.31 87.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.908 176.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.472 ' HB3' HG21 ' A' ' 96' ' ' THR . 0.3 OUTLIER -62.64 -47.46 83.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.223 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.53 -24.58 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.647 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -83.23 -26.84 30.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.596 0.236 . . . . 0.0 111.045 179.231 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HB3' HD13 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -91.96 -36.95 13.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.882 0.372 . . . . 0.0 110.782 -179.315 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.46 -22.73 64.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.368 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.04 -59.62 10.79 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.112 -175.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.57 -29.51 24.64 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.576 1.517 . . . . 0.0 111.677 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.482 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 3.4 t80 -65.83 -42.32 90.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.683 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.46 -26.13 60.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.317 0.58 . . . . 0.0 109.945 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -74.82 -38.1 62.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.373 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -66.72 -47.63 71.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.867 177.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.425 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 6.2 mtm -60.88 -36.13 78.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.932 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.569 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 21.1 mm-40 -61.0 -55.46 32.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.676 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -39.53 90.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.49 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.267 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.523 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 15.1 ttm -68.31 -25.49 65.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.444 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.569 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -68.09 -44.56 75.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.196 177.807 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.88 -46.77 70.74 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.649 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.98 -27.94 69.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.201 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -69.74 -32.18 70.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.009 178.7 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -78.59 -176.63 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.115 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.28 144.58 49.9 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.513 177.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -100.45 135.41 41.93 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.282 0.563 . . . . 0.0 111.087 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.0 tp -120.26 137.38 54.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.486 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.517 HG11 HD22 ' A' ' 50' ' ' LEU . 8.8 m -126.72 151.51 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -104.67 -59.84 1.68 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.174 0.512 . . . . 0.0 109.714 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.569 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -105.49 172.5 6.76 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.113 -177.102 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.54 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -69.75 -31.14 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 110.85 -175.331 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.569 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 1.5 mp0 -62.08 -34.55 76.5 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 177.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -73.39 -36.19 66.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.282 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.767 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -65.24 -39.55 85.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.162 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.595 ' N ' HG23 ' A' ' 47' ' ' ILE . 26.8 mm-40 -74.27 -30.97 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.375 -179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.03 -37.82 87.92 Favored Glycine 0 CA--C 1.505 -0.559 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.517 HD22 HG11 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -62.07 -48.93 78.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.724 -0.738 . . . . 0.0 110.593 172.237 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.767 HG12 ' O ' ' A' ' 47' ' ' ILE . 19.4 mm -56.22 -51.22 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.67 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 m -54.78 -37.42 65.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.36 66.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.24 0.543 . . . . 0.0 111.208 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.409 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 6.7 t60 -91.42 -29.58 16.98 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.803 175.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -62.41 -49.12 76.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.627 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -71.98 -21.56 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.261 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.43 ' HE2' HG21 ' A' ' 114' ' ' VAL . 45.8 t80 -65.62 -35.3 80.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.731 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.521 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 1.5 mmmm -70.85 -18.95 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.498 0.665 . . . . 0.0 109.827 178.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 m -87.82 -33.26 18.67 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.542 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -21.19 54.92 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.641 0.258 . . . . 0.0 111.407 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.62 ' HB2' ' HD3' ' A' ' 62' ' ' PRO . 2.6 mt -54.46 -57.87 16.68 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.081 -177.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.62 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 49.0 Cg_exo -56.27 -35.38 95.63 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.205 1.937 . . . . 0.0 112.884 -177.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -69.65 -54.42 14.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.122 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.24 -33.51 75.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.045 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.543 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 22.2 t70 -61.37 -47.14 87.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.427 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 4.2 mmm180 -65.23 -33.1 75.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.442 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -60.85 -43.88 97.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.528 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.482 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -59.37 -37.29 77.55 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.966 0.413 . . . . 0.0 110.536 179.524 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.65 -43.14 66.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.361 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.01 -19.16 65.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.147 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.46 HD13 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -84.23 -40.04 15.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -179.267 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.478 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.9 OUTLIER -71.41 -22.49 61.85 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.417 175.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.01 -44.48 80.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.414 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 13.0 mt -62.22 -42.4 95.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.542 0.687 . . . . 0.0 109.879 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.536 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -66.19 -24.86 66.7 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.85 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -61.64 -44.43 96.98 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.334 178.311 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -83.18 -23.56 32.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -177.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.0 6.44 38.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.291 -176.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -124.34 -42.28 2.12 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.593 175.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.559 ' HA ' ' HB2' ' A' ' 83' ' ' GLU . 20.8 ptt85 -59.93 -22.03 61.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 -176.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.1 pp -65.2 -34.43 70.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-O 121.156 0.503 . . . . 0.0 110.578 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.42 -19.46 26.51 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.659 0.742 . . . . 0.0 109.659 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.559 ' HB2' ' HA ' ' A' ' 80' ' ' ARG . 88.6 mt-10 -79.6 -7.5 58.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.262 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.51 -39.34 8.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.698 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.74 144.8 37.65 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -175.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -74.32 81.85 1.88 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.723 -172.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.2 pp -100.35 165.81 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.813 173.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.48 94.16 2.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.662 175.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.411 HD23 HD12 ' A' ' 10' ' ' ILE . 1.9 mt -48.25 -66.08 0.46 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.734 0.646 . . . . 0.0 111.11 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.63 35.44 0.36 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.32 0.581 . . . . 0.0 109.951 175.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.47 -64.64 3.99 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.448 ' HB2' ' H ' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -103.12 -118.69 0.2 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.103 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.448 ' H ' ' HB2' ' A' ' 92' ' ' SER . 0.5 OUTLIER -152.05 138.72 12.06 Favored Pre-proline 0 C--N 1.33 -0.255 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.65 -51.82 3.69 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.992 2.461 . . . . 0.0 113.245 -175.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.808 ' CE2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -111.78 -39.75 4.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -177.03 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -84.84 70.16 10.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.753 -176.649 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.03 47.52 1.51 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.393 1.092 . . . . 0.0 110.14 175.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.81 111.9 12.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.508 -176.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.489 HG23 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -80.85 148.99 66.36 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.676 -179.115 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 99' ' ' THR . 10.7 Cg_endo -54.81 -39.2 91.01 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.821 2.347 . . . . 0.0 112.281 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -65.02 -36.99 86.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.347 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.521 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.1 mp -64.3 -33.03 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.988 -176.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -93.89 -34.82 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 120.73 0.3 . . . . 0.0 111.644 -178.125 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.534 ' N ' HG22 ' A' ' 103' ' ' ILE . 41.2 t30 -76.91 -43.43 35.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.675 0.274 . . . . 0.0 111.375 -176.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 m -74.91 -24.46 58.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.571 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 3.4 mttt -68.08 -38.37 82.3 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 174.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.543 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 67.4 t-105 -60.2 -42.15 94.5 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 174.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.59 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.565 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 18.5 mttm -64.94 -40.64 95.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.076 0.465 . . . . 0.0 109.975 174.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.86 -48.14 89.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.046 176.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -61.39 -31.67 71.58 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.386 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.4 pt20 -70.58 -23.39 62.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -178.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.7 mt -98.3 -8.61 26.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.316 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.445 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 86.3 t -67.12 -56.32 13.61 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.683 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 21.4 Cg_endo -60.71 -33.43 93.17 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.853 -178.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -63.24 -48.79 76.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.213 0.53 . . . . 0.0 110.308 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.51 ' HG3' HD11 ' A' ' 121' ' ' LEU . 23.3 tpp85 -74.21 -29.42 61.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.66 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -33.85 76.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.185 0.517 . . . . 0.0 110.041 176.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -88.61 -44.26 10.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.662 -175.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.53 -38.35 87.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.972 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.51 HD11 ' HG3' ' A' ' 117' ' ' ARG . 18.4 mt -67.78 -48.25 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.625 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.45 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -58.29 -44.79 88.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.237 178.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -45.25 88.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.682 0.277 . . . . 0.0 110.875 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -42.4 87.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.554 -178.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -67.74 -26.23 66.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 110.557 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.6 m -78.83 -16.26 57.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.621 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -87.63 4.47 43.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.32 0.581 . . . . 0.0 110.375 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -106.45 -138.74 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.587 175.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.992 0 CA-C-O 119.001 -0.523 . . . . 0.0 109.763 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 111.704 -0.559 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.04 -28.2 14.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.624 0.249 . . . . 0.0 111.233 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -45.47 91.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 -176.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.508 ' HA ' HD21 ' A' ' 7' ' ' LEU . 12.6 pm0 -74.89 -5.45 43.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.07 0.462 . . . . 0.0 111.176 -178.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -101.36 -29.67 11.91 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.459 ' HB3' HG23 ' A' ' 81' ' ' ILE . 99.5 mt-30 -59.31 -50.47 73.86 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.146 170.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.515 HD23 HD13 ' A' ' 87' ' ' ILE . 1.9 pp -71.46 -33.86 69.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.975 -173.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -75.71 -37.09 59.75 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.25 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.29 -36.75 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 110.163 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' HA ' HD23 ' A' ' 13' ' ' LEU . 1.3 pp -79.07 -17.6 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.637 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 7.7 t70 -73.27 -27.6 61.65 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -72.36 -16.58 61.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.105 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.646 HD12 ' HB1' ' A' ' 78' ' ' ALA . 0.5 OUTLIER -105.39 -6.56 19.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.169 0.509 . . . . 0.0 109.737 171.687 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.55 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -60.59 -34.43 74.2 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.029 175.528 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.726 HD11 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -78.47 -26.55 46.1 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.753 -179.698 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' N ' HD21 ' A' ' 15' ' ' LEU . 4.9 mm-40 -63.44 -39.02 93.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.939 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -51.16 70.81 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 172.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.58 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.717 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -34.89 43.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.454 179.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -87.1 -37.11 17.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 111.299 -179.376 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.91 -20.72 65.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.746 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.517 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -65.21 -61.18 6.45 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.068 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 44.3 Cg_endo -69.42 -27.02 28.58 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.535 1.49 . . . . 0.0 111.906 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.497 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.0 t80 -67.19 -43.11 82.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.199 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -67.83 -28.61 67.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.446 0.641 . . . . 0.0 109.664 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.95 -37.33 78.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.913 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -65.91 -47.85 73.41 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.319 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.477 ' HE3' ' O ' ' A' ' 103' ' ' ILE . 33.3 mtt -55.36 -42.13 73.49 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.907 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -59.24 -58.54 8.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.437 177.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -57.09 -40.63 77.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.303 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.45 -55.0 10.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.334 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.699 ' HE1' HG22 ' A' ' 110' ' ' VAL . 11.1 ttm -62.9 -34.97 78.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.211 -177.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.561 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -75.25 -37.07 61.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.38 -179.348 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.82 -42.06 91.04 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 35' ' ' LEU . 1.2 mp -71.15 -25.06 62.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.648 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -79.17 -40.94 29.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 177.753 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -72.47 168.6 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.3 0.571 . . . . 0.0 111.377 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.24 144.77 29.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.486 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -104.02 113.96 27.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.111 0.482 . . . . 0.0 110.711 -177.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.469 HD12 HG21 ' A' ' 40' ' ' ILE . 2.2 mm -93.65 127.03 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 121.198 0.523 . . . . 0.0 109.853 175.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.51 HG13 HD21 ' A' ' 50' ' ' LEU . 28.7 m -120.76 143.05 34.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.008 -176.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -102.28 -44.06 5.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.327 0.584 . . . . 0.0 109.72 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.727 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -126.99 162.44 25.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.787 -177.343 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -67.83 -24.13 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.93 -177.374 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.727 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -54.47 -44.37 72.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.277 0.56 . . . . 0.0 109.729 174.242 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -74.48 -34.44 63.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.471 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.673 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -64.06 -37.84 80.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.379 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -31.04 62.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.291 0.567 . . . . 0.0 109.482 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.06 -36.31 64.34 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.51 HD21 HG13 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -59.73 -43.97 93.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.899 -0.651 . . . . 0.0 110.365 174.017 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.673 HG12 ' O ' ' A' ' 47' ' ' ILE . 8.9 mm -61.63 -43.35 96.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.795 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 m -62.12 -27.39 68.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.227 178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.75 -5.14 38.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.996 0.427 . . . . 0.0 111.068 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.464 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -111.81 -31.6 6.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.071 0.462 . . . . 0.0 109.768 171.245 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -65.42 -50.3 65.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.794 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.546 ' HA ' ' OG ' ' A' ' 59' ' ' SER . 17.5 mm-40 -76.17 -15.44 60.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.245 0.545 . . . . 0.0 110.275 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.464 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 42.5 t80 -73.5 -32.01 64.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.834 173.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -73.74 -15.96 61.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.434 175.809 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.546 ' OG ' ' HA ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -89.03 -25.19 22.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.543 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -32.04 34.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.932 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 3.8 mt -53.02 -51.53 73.98 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -175.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 9.5 Cg_endo -52.46 -36.91 71.75 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.504 2.136 . . . . 0.0 113.473 -178.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -88.72 -34.38 17.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.614 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.7 88.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.664 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.4 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 18.1 t70 -63.35 -38.98 93.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.434 0.635 . . . . 0.0 109.389 175.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 66' ' ' ARG . 10.5 mtp-105 -62.77 -38.76 91.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.313 176.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -60.2 -46.32 90.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.54 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.497 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -59.27 -37.21 77.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.386 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -71.04 -40.84 71.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.525 176.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.79 -15.21 61.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.456 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.18 -38.93 11.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.624 HD21 ' HB3' ' A' ' 100' ' ' PRO . 2.2 mt -69.92 -28.23 65.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.165 174.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.52 -40.64 92.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.241 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.8 mt -65.42 -36.95 78.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.818 0.818 . . . . 0.0 109.834 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -77.87 -16.49 58.23 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.024 -177.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.554 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -61.79 -42.74 99.39 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.746 -175.827 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.28 -26.79 23.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.225 0.536 . . . . 0.0 109.869 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.646 ' HB1' HD12 ' A' ' 13' ' ' LEU . . . -79.09 -7.37 58.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.328 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -115.46 -30.08 6.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.088 174.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.554 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -60.88 -28.2 68.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.663 0.268 . . . . 0.0 110.801 -176.538 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.713 HD11 HD23 ' A' ' 89' ' ' LEU . 1.4 pp -64.7 -42.01 93.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.96 0.41 . . . . 0.0 110.33 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.95 -21.4 47.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.413 0.625 . . . . 0.0 110.418 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -77.37 -13.66 59.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.61 176.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.4 m -94.73 -44.8 7.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.121 0.486 . . . . 0.0 109.998 176.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.593 ' HB2' HG21 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -128.74 126.89 40.96 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 176.614 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.3 72.42 0.3 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.453 0.47 . . . . 0.0 110.253 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.593 HG21 ' HB2' ' A' ' 85' ' ' ASN . 2.2 pt -104.37 160.77 4.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.279 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.45 74.57 3.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.541 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.713 HD23 HD11 ' A' ' 81' ' ' ILE . 1.8 mp -20.23 -86.0 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 O-C-N 125.125 1.515 . . . . 0.0 113.733 -175.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.59 29.48 7.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.009 0.433 . . . . 0.0 110.56 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.56 -58.88 4.14 Favored Glycine 0 C--N 1.33 0.22 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.986 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.47 -160.24 1.04 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.47 105.37 15.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -66.06 -58.24 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.538 2.158 . . . . 0.0 112.702 -176.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.726 ' CE2' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -120.14 -31.78 4.33 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.546 0.688 . . . . 0.0 109.367 -179.771 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.42 72.32 7.29 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.21 -0.905 . . . . 0.0 112.289 -177.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.6 m -67.34 -36.43 81.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.807 0.813 . . . . 0.0 109.49 170.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.32 123.53 16.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.241 176.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 57.2 p -102.07 166.86 11.37 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.195 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.624 ' HB3' HD21 ' A' ' 72' ' ' LEU . 32.8 Cg_exo -60.41 -32.43 93.87 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.415 2.076 . . . . 0.0 111.171 172.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -43.69 69.97 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.66 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 3.6 mt -56.28 -51.66 60.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.387 177.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.608 HG21 ' N ' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -72.11 -37.52 60.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.629 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.608 ' N ' HG21 ' A' ' 103' ' ' ILE . 7.5 t30 -76.76 -49.35 16.16 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.092 -0.38 . . . . 0.0 111.578 -176.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.2 m -68.79 -30.26 68.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.3 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 17.9 mtpt -71.41 -34.26 70.18 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.305 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.4 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 60.2 t-105 -62.59 -45.63 92.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.092 0.472 . . . . 0.0 109.947 175.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.37 -33.11 75.19 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.343 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.701 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -68.04 -37.39 81.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.5 175.113 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.699 HG22 ' HE1' ' A' ' 32' ' ' MET . 2.2 t -63.82 -48.94 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.738 177.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.442 ' NE2' HD12 ' A' ' 61' ' ' LEU . 36.0 mm-40 -61.9 -37.56 85.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.223 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.701 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -76.37 -5.79 48.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.813 -178.093 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.502 HD11 ' HG2' ' A' ' 32' ' ' MET . 7.1 mt -102.41 -7.54 21.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.443 0.64 . . . . 0.0 110.28 176.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.586 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 69.6 t -71.91 -52.64 7.59 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.587 -175.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.586 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 40.6 Cg_exo -57.8 -46.83 23.92 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.554 2.169 . . . . 0.0 113.353 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -58.21 -37.1 74.14 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.971 0.415 . . . . 0.0 111.036 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.521 ' HG3' HD12 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -75.89 -39.22 56.84 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.224 179.258 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -30.82 70.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.22 0.533 . . . . 0.0 110.245 177.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -79.82 -44.15 21.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.134 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.25 83.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.813 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.521 HD12 ' HG3' ' A' ' 117' ' ' ARG . 31.7 mt -62.47 -47.24 84.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.295 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.707 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -63.03 -36.81 84.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.945 177.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -58.17 -48.7 79.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 110.586 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.498 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -72.26 -41.88 66.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.875 -177.221 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.707 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.4 pt20 -62.28 -28.08 69.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.695 0.284 . . . . 0.0 111.119 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 m -92.67 -4.62 52.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.207 0.527 . . . . 0.0 110.533 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -98.56 -0.16 43.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.161 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 124' ' ' GLU . 90.0 mm-40 -86.57 -134.54 0.07 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.72 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.096 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.37 -37.67 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.793 -0.239 . . . . 0.0 110.864 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -50.49 72.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -174.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.581 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -80.5 -6.59 58.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.695 0.283 . . . . 0.0 111.434 -173.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.46 -35.3 10.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.198 0.523 . . . . 0.0 109.829 178.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -68.34 -27.38 66.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.966 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.48 ' CD2' ' HA ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -88.09 -31.73 19.08 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 175.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.581 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 17.3 tt0 -66.8 -39.98 87.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.629 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.8 82.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.93 -178.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 7' ' ' LEU . 1.5 pp -84.41 -6.56 10.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.18 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.472 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 1.5 t0 -87.95 -22.91 24.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.112 0.482 . . . . 0.0 110.171 175.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.543 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 96.7 mm-40 -89.97 -16.41 29.94 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 175.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 77' ' ' GLU . 0.4 OUTLIER -77.01 -41.37 43.01 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 112.846 -1.979 . . . . 0.0 108.501 167.446 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 11' ' ' ASP . 12.5 m170 -55.37 -32.18 62.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.723 171.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.611 HD22 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -55.76 -45.59 78.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.257 -179.13 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -30.94 69.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.327 -179.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.474 ' HE2' ' CB ' ' A' ' 75' ' ' HIS . 1.2 t80 -69.65 -46.81 65.3 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.43 -11.58 60.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.217 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 15' ' ' LEU . 1.6 mptp? -90.18 -31.19 17.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.831 176.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.458 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -94.89 -42.48 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.706 0.289 . . . . 0.0 111.675 -177.584 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.666 ' HB3' HG12 ' A' ' 98' ' ' VAL . . . -70.75 -15.15 62.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.95 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.437 ' CB ' ' HD3' ' A' ' 23' ' ' PRO . . . -74.48 -55.68 2.65 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.165 -175.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.437 ' HD3' ' CB ' ' A' ' 22' ' ' ALA . 15.1 Cg_exo -69.47 -26.81 28.57 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.76 1.64 . . . . 0.0 111.474 175.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.679 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.3 t80 -68.75 -41.91 78.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.424 177.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.544 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 64.1 t30 -69.81 -30.68 68.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.384 0.611 . . . . 0.0 109.5 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -71.99 -37.48 69.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.359 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -63.68 -45.48 89.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.604 175.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.494 ' HE1' ' HB2' ' A' ' 107' ' ' TRP . 56.7 mtt -62.77 -39.03 92.93 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.537 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 7.9 mm-40 -60.21 -48.27 82.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 177.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.0 m -62.15 -45.12 94.86 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.481 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.77 -49.52 65.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.8 ttm -63.51 -30.57 71.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 -177.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -85.27 -40.18 16.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.331 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.78 -45.83 91.06 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.599 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.429 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 5.8 mp -71.26 -23.22 61.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.034 -175.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -24.08 21.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.388 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.77 155.72 32.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.375 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.0 ttm -94.4 136.74 34.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.734 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 121' ' ' LEU . 32.3 p90 -101.98 135.93 42.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.209 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.7 tp -119.23 137.11 54.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 173.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.75 156.59 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.975 -175.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -115.17 -39.17 3.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.239 0.542 . . . . 0.0 109.829 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.546 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -130.46 172.11 12.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.688 -176.28 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.597 HD12 ' HG2' ' A' ' 129' ' ' GLN . 0.6 OUTLIER -76.4 -25.63 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.108 0.48 . . . . 0.0 110.122 -179.178 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.546 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 3.0 mp0 -56.97 -47.16 81.42 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.548 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -77.57 -25.56 50.12 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.084 178.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.732 HG13 ' HG3' ' A' ' 128' ' ' GLN . 0.1 OUTLIER -65.07 -38.37 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.443 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -74.58 -29.64 61.41 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.475 ' N ' ' HG3' ' A' ' 48' ' ' GLU . . . -72.74 -38.59 56.72 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -53.06 -45.96 68.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.811 -0.695 . . . . 0.0 110.785 174.215 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.1 mm -68.88 -45.75 80.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.8 m -58.09 -40.24 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.522 0.201 . . . . 0.0 111.236 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -32.16 72.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 0.0 111.167 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -83.48 -34.43 25.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.344 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -67.11 -45.61 76.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.857 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -25.64 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.153 0.502 . . . . 0.0 109.827 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.412 ' HE2' HG22 ' A' ' 114' ' ' VAL . 58.6 t80 -69.15 -38.22 78.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.36 176.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HE2' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -60.41 -26.32 66.6 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.238 174.056 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.61 -23.94 19.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 m -78.98 -20.73 48.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.096 0.474 . . . . 0.0 110.536 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.506 HD13 ' NE2' ' A' ' 111' ' ' GLN . 3.9 mt -58.33 -56.84 31.07 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.335 -177.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.2 Cg_endo -54.01 -33.34 72.55 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.062 1.841 . . . . 0.0 113.061 -177.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.84 -47.4 38.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.035 0.445 . . . . 0.0 110.567 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.72 -30.63 70.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.641 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 11.3 t0 -59.34 -44.74 92.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.302 177.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -36.17 83.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.792 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' OE1' ' HD3' ' A' ' 20' ' ' ARG . 45.5 mm-40 -62.51 -39.8 94.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.498 177.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.679 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -60.57 -41.22 94.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.966 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -36.58 65.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.542 178.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.31 -14.97 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.722 ' HA ' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -86.14 -38.36 12.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.579 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 100' ' ' PRO . 1.1 mt -68.11 -24.62 65.05 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.301 173.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.75 76.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.547 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.722 HD11 ' HA ' ' A' ' 71' ' ' ILE . 7.8 mt -70.89 -43.55 76.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.564 0.697 . . . . 0.0 109.78 174.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.474 ' CB ' ' HE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -65.45 -18.76 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.918 -179.041 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 19.5 mttt -59.91 -48.13 82.95 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.732 0.301 . . . . 0.0 110.664 178.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.514 ' HB2' HD22 ' A' ' 13' ' ' LEU . 61.6 mm-40 -82.03 -26.3 33.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.331 0.586 . . . . 0.0 110.223 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.447 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -87.77 -1.94 58.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.938 -176.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -124.04 -34.07 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.764 177.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 28.7 ptt85 -58.35 -26.86 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.026 0.204 . . . . 0.0 111.282 -175.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 pp -61.52 -44.19 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 0.0 110.262 176.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.73 -20.56 46.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.314 0.578 . . . . 0.0 110.313 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 23.0 mt-10 -81.9 -13.22 57.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.625 177.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -99.66 -44.95 5.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.205 175.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.438 ' HB2' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -126.34 127.01 44.85 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.062 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.54 62.81 1.04 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.001 0.429 . . . . 0.0 110.605 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.438 HG23 ' HB2' ' A' ' 85' ' ' ASN . 2.4 pt -76.87 155.89 5.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.62 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -86.21 82.17 8.14 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.85 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -51.29 161.68 0.41 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.492 175.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.46 96.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.984 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.64 -97.41 0.41 Allowed Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.095 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.7 m -148.77 -51.19 0.16 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 176.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -134.72 105.08 10.75 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.351 174.094 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 93' ' ' ASN . 18.2 Cg_endo -61.25 -65.46 0.07 OUTLIER 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.472 2.115 . . . . 0.0 111.787 179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.611 ' CE2' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -124.64 -25.37 4.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.636 0.732 . . . . 0.0 109.126 175.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.455 HG23 ' CD1' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -91.96 72.65 5.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.582 -177.685 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 m -76.49 -38.19 55.65 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.845 0.831 . . . . 0.0 108.794 171.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.666 HG12 ' HB3' ' A' ' 21' ' ' ALA . 1.4 p -52.86 108.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.282 171.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.522 HG21 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -96.34 157.93 34.72 Favored Pre-proline 0 N--CA 1.447 -0.607 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.098 -174.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.713 ' HB3' HD22 ' A' ' 72' ' ' LEU . 6.1 Cg_endo -50.35 -42.08 49.09 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.084 2.523 . . . . 0.0 112.706 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -38.24 83.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 0.0 110.517 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.62 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -61.84 -37.37 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.626 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.612 HG22 ' N ' ' A' ' 104' ' ' ASN . 0.2 OUTLIER -85.67 -34.75 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.852 0.358 . . . . 0.0 111.499 -177.411 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.612 ' N ' HG22 ' A' ' 103' ' ' ILE . 1.7 t30 -73.64 -49.03 28.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.791 0.329 . . . . 0.0 111.446 -178.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.8 m -67.78 -33.23 74.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.064 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.8 OUTLIER -64.0 -48.86 74.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.264 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.494 ' HB2' ' HE1' ' A' ' 28' ' ' MET . 61.2 t-105 -55.22 -44.33 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.403 176.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -43.85 87.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.138 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 4.7 mmtt -75.62 -29.0 59.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.665 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.64 -43.27 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.133 0.492 . . . . 0.0 109.823 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.506 ' NE2' HD13 ' A' ' 61' ' ' LEU . 21.9 mm-40 -60.27 -44.02 95.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.734 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -74.87 -12.57 60.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.519 -175.243 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.429 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 1.7 mt -89.54 -16.89 29.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.961 0.41 . . . . 0.0 110.503 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.716 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 89.7 t -60.09 -57.07 29.41 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.069 -177.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.716 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 35.3 Cg_exo -61.9 -36.73 70.73 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.532 2.154 . . . . 0.0 112.772 -176.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -47.45 85.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.976 0.417 . . . . 0.0 110.559 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.508 ' HG3' HD13 ' A' ' 121' ' ' LEU . 16.8 tpt180 -69.57 -34.55 74.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.929 179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -63.9 -32.48 74.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 110.034 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -76.33 -43.2 42.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.182 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.58 -35.96 82.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.556 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.566 ' HB3' HD13 ' A' ' 51' ' ' ILE . 18.5 mt -67.42 -53.77 26.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.195 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.689 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -64.91 -34.26 77.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.774 -175.122 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -52.3 66.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.575 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -74.91 -33.93 62.07 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.127 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.689 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -61.55 -31.81 71.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.339 . . . . 0.0 110.73 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.513 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 3.3 m -87.34 8.18 25.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.02 0.438 . . . . 0.0 111.011 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -109.37 -13.15 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.023 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.732 ' HG3' HG13 ' A' ' 47' ' ' ILE . 70.0 mm-40 -87.61 -43.67 11.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.42 0.629 . . . . 0.0 111.271 -175.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.597 ' HG2' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.294 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.434 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 112.36 -0.296 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.91 5.98 15.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.782 0.325 . . . . 0.0 111.07 178.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -41.82 68.37 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -175.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -70.51 -20.65 62.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.304 -175.759 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -97.2 -25.89 15.13 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -178.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -68.92 -39.51 79.59 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.492 173.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' HB2' HD21 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -83.33 -30.8 27.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.199 -178.181 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.667 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -76.25 -27.91 56.91 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.803 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -41.85 85.95 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.733 HD13 HD22 ' A' ' 89' ' ' LEU . 1.6 pp -84.18 -5.49 9.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.227 178.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -85.3 -18.73 33.02 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.793 172.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 65.3 mm-40 -88.1 -29.32 20.7 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.16 -38.21 87.51 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 112.957 -1.928 . . . . 0.0 109.395 169.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -53.79 -32.34 52.2 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.945 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.674 HD11 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -61.26 -40.31 93.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.568 -179.161 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.73 -30.83 70.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.896 0.379 . . . . 0.0 110.201 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.469 ' CD1' HG22 ' A' ' 96' ' ' THR . 2.0 t80 -69.9 -47.86 60.86 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 175.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.588 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -64.89 -32.74 74.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.49 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -11.76 56.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.921 0.391 . . . . 0.0 111.015 -174.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.493 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -109.01 -39.94 5.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.355 178.308 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -71.29 -17.16 62.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.099 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.84 -59.69 2.8 Favored Pre-proline 0 C--N 1.33 -0.268 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.85 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.39 -23.24 38.25 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.277 1.318 . . . . 0.0 111.555 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.6 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.7 t80 -72.82 -41.47 64.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.516 ' OD1' ' HE2' ' A' ' 106' ' ' LYS . 3.1 t30 -74.08 -20.87 60.14 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.499 0.666 . . . . 0.0 109.934 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.93 -44.48 31.35 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.905 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -59.23 -51.56 69.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.645 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.54 ' HE3' ' O ' ' A' ' 103' ' ' ILE . 2.2 mmt -55.4 -41.88 73.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.458 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.56 -44.85 66.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.091 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.7 m -66.45 -38.33 87.12 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.609 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.81 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 10.6 ttm -66.18 -29.27 69.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.397 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -68.53 -46.07 70.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.596 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.97 -43.14 95.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.996 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -33.66 75.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.153 -178.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -81.52 -35.23 30.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.696 -178.051 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.42 139.37 58.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.546 -174.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.23 111.39 20.97 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.395 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -78.65 136.48 37.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.343 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 40' ' ' ILE . 9.0 tp -110.47 133.01 57.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.486 HG12 HD11 ' A' ' 50' ' ' LEU . 33.2 m -125.13 151.31 30.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.102 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -118.95 -41.88 2.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.314 0.578 . . . . 0.0 109.452 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.87 171.45 10.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.996 -175.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.604 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.78 -26.85 31.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.384 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.536 ' N ' HG13 ' A' ' 44' ' ' ILE . 1.3 mt-10 -52.28 -44.79 65.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.178 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -71.31 -37.27 71.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.593 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.633 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -70.15 -21.09 23.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 109.948 179.241 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.54 9.39 18.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.913 172.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.08 -62.89 0.3 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.504 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -75.53 -4.42 39.73 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -175.522 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.722 HG12 ' HB3' ' A' ' 121' ' ' LEU . 15.7 mt -88.63 -43.5 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -31.13 71.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 178.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.41 -34.95 76.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.688 175.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -83.27 -25.22 31.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.356 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -67.94 -51.82 43.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -65.21 -23.51 67.1 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.631 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -62.54 -33.56 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.038 175.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.599 ' HE3' HD11 ' A' ' 61' ' ' LEU . 3.2 mmmm -71.6 -17.64 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.629 177.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.46 -31.91 17.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.461 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.13 -25.43 58.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.884 0.373 . . . . 0.0 111.022 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.599 HD11 ' HE3' ' A' ' 58' ' ' LYS . 2.9 mt -57.08 -55.89 39.25 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -176.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.6 Cg_endo -54.28 -33.05 74.14 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.38 2.054 . . . . 0.0 113.582 -176.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -81.59 -45.64 15.56 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.823 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.47 75.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.121 0.486 . . . . 0.0 110.669 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -61.06 -48.41 81.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.82 175.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -43.05 99.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.683 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.53 -36.43 83.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.249 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.6 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -58.75 -39.78 81.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.001 0.429 . . . . 0.0 110.406 178.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -73.74 -34.11 64.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.251 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.67 -10.91 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.092 0.472 . . . . 0.0 110.875 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.659 ' HA ' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -88.98 -40.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 176.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.79 -29.91 71.06 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.348 173.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.97 99.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.99 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.659 HD11 ' HA ' ' A' ' 71' ' ' ILE . 10.1 mt -63.18 -44.39 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.726 . . . . 0.0 110.208 177.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.506 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -69.57 -16.92 63.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.292 -176.144 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -51.41 70.07 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.26 0.552 . . . . 0.0 109.925 176.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.428 ' HA ' ' HD2' ' A' ' 80' ' ' ARG . 1.1 mp0 -75.04 -33.09 61.71 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.211 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.15 -4.55 55.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.809 -177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.506 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -115.53 -34.29 4.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.523 0.201 . . . . 0.0 111.119 177.574 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 77' ' ' GLU . 11.1 ptm180 -56.0 -30.46 61.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.79 -176.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.9 pp -67.61 -36.06 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.875 0.369 . . . . 0.0 110.631 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.97 -22.3 36.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.122 0.487 . . . . 0.0 110.393 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 51.0 mm-40 -80.62 -20.74 42.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.251 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 m -90.03 -43.79 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.659 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.537 ' HB2' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -119.53 126.0 50.2 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 176.435 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -76.21 64.06 1.97 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.341 0.591 . . . . 0.0 110.284 -176.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' ' 85' ' ' ASN . 2.3 pt -91.17 -177.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.329 -178.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.64 92.44 3.79 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 175.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.733 HD22 HD13 ' A' ' 10' ' ' ILE . 5.0 mt -55.74 176.67 0.06 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.005 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.92 86.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.527 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.18 -152.7 48.98 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -172.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.14 -29.15 28.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 171.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -178.9 117.07 0.23 Allowed Pre-proline 0 CA--C 1.517 -0.295 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.294 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.82 -31.64 15.48 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.33 2.02 . . . . 0.0 112.667 -172.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.674 ' CD2' HD11 ' A' ' 15' ' ' LEU . 2.6 m-85 -107.55 -39.7 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.011 0.434 . . . . 0.0 110.796 -173.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.588 ' HB ' ' HA ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -126.26 88.21 2.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 0.0 111.08 -175.126 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 61.0 m -60.61 -24.48 65.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.45 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.544 HG22 HD11 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -55.17 128.46 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.742 177.033 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.53 160.19 28.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.343 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.477 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 9.3 Cg_endo -52.94 -41.21 72.72 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.94 2.427 . . . . 0.0 112.415 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -69.85 -36.64 75.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.348 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 103' ' ' ILE . 1.1 mp -62.18 -43.07 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.3 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.614 HG23 ' N ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -79.28 -34.88 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.326 -177.804 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.614 ' N ' HG23 ' A' ' 103' ' ' ILE . 1.3 m-20 -72.2 -44.11 63.49 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.891 -179.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.5 m -63.81 -33.15 75.03 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.019 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.516 ' HE2' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -64.34 -45.22 88.78 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.864 0.364 . . . . 0.0 110.618 177.04 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -60.28 -41.22 92.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.216 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -40.05 93.52 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.367 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.462 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -64.87 -43.39 93.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.289 176.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.454 ' O ' HG21 ' A' ' 114' ' ' VAL . 40.1 t -59.11 -48.8 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.373 177.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -56.18 -49.26 74.51 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.788 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -71.57 -16.03 62.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.687 -174.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.457 ' HG ' HE21 ' A' ' 112' ' ' GLN . 0.7 OUTLIER -91.44 -14.62 30.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.824 0.345 . . . . 0.0 110.692 179.177 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.454 HG21 ' O ' ' A' ' 110' ' ' VAL . 48.4 t -60.91 -57.46 26.29 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.517 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.59 -30.11 70.45 Favored 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.179 1.92 . . . . 0.0 112.501 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -53.38 49.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.029 0.442 . . . . 0.0 110.382 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.512 ' HG3' HD13 ' A' ' 121' ' ' LEU . 2.8 tpt180 -69.06 -32.79 72.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.416 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -34.7 77.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.083 0.468 . . . . 0.0 109.844 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -76.33 -44.91 34.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.936 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.21 89.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.722 ' HB3' HG12 ' A' ' 51' ' ' ILE . 22.1 mt -66.08 -51.55 57.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.81 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.17 -43.77 98.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.284 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -39.28 88.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 110.893 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -47.06 61.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.075 -178.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.533 ' HA ' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -67.97 -22.22 65.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.637 178.653 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.5 m -78.48 -25.18 45.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.964 0.412 . . . . 0.0 110.171 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -19.24 61.35 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 109.899 173.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -104.8 -147.84 0.4 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.003 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.197 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -45.84 9.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.801 0.301 . . . . 0.0 111.593 -176.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.616 HG22 HG21 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -57.02 -56.26 24.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -172.022 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.58 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 21.9 mp0 -61.84 -27.3 68.68 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -176.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -87.46 -29.64 21.26 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -63.69 -44.12 94.62 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.915 172.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' HA ' ' CG1' ' A' ' 10' ' ' ILE . 2.8 pp -79.55 -29.0 41.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.716 -177.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.58 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 2.6 tt0 -70.36 -33.6 71.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.858 0.361 . . . . 0.0 110.513 178.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.23 -42.81 54.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.192 0.52 . . . . 0.0 110.258 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.712 ' HA ' HD23 ' A' ' 13' ' ' LEU . 1.1 pt -77.6 -13.17 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.168 -178.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.4 t0 -71.14 -20.81 62.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 173.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -75.06 -34.73 61.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.373 177.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.712 HD23 ' HA ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -85.05 -16.55 40.31 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 175.374 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 3.6 m170 -57.03 -31.75 65.46 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 171.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.731 HD11 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -63.13 -39.42 94.63 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.992 178.467 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -36.68 85.09 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.296 0.569 . . . . 0.0 110.131 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.514 ' CD1' HG22 ' A' ' 96' ' ' THR . 2.4 t80 -64.18 -48.37 76.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.768 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.658 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -65.7 -30.32 70.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.325 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HE2' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -79.02 -23.15 44.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.349 -176.71 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.708 ' HB3' HD11 ' A' ' 71' ' ' ILE . 8.7 mtt180 -104.29 -34.75 8.22 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.571 -177.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -67.1 -23.7 65.86 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.55 -60.14 6.03 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.681 -176.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -67.79 -27.43 37.64 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.761 1.641 . . . . 0.0 111.718 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.1 -39.53 78.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.514 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 1.5 t-20 -71.19 -27.25 63.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.844 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -68.27 -43.47 77.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.393 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -68.36 -51.3 45.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.371 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.699 ' HE2' ' HB2' ' A' ' 107' ' ' TRP . 3.6 mtt -54.49 -46.06 73.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.844 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -48.36 70.81 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.839 -178.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 m -65.87 -39.14 90.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.062 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.37 18.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.093 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.501 ' HE3' HG22 ' A' ' 110' ' ' VAL . 34.9 ttm -56.05 -45.12 79.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.267 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 7.0 mm-40 -73.42 -29.17 62.4 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -176.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.73 -34.87 60.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.071 0.462 . . . . 0.0 109.956 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mp -67.78 -34.77 77.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.986 -173.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -90.91 -18.81 24.12 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 33' ' ' GLU . 6.6 t0 -67.46 159.02 30.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.208 0.528 . . . . 0.0 111.721 -173.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -80.87 101.66 9.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.323 -177.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -78.23 138.24 38.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.852 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.0 tp -115.85 130.0 71.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.447 0.642 . . . . 0.0 110.569 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.487 ' CG1' HD13 ' A' ' 50' ' ' LEU . 3.3 m -127.08 155.98 38.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.742 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -102.89 -61.58 1.38 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.988 0.423 . . . . 0.0 110.322 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.87 171.74 7.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.482 -175.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -31.5 53.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-O 121.123 0.487 . . . . 0.0 110.736 177.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.13 -40.06 67.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.071 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.41 -40.46 77.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.165 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.548 HD13 ' HG3' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -62.14 -33.74 60.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.238 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -16.79 64.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.947 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.11 -44.71 1.24 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.572 176.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.487 HD13 ' CG1' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -58.74 -50.01 75.5 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 123.806 0.842 . . . . 0.0 111.396 -179.013 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.609 HG12 ' HB3' ' A' ' 121' ' ' LEU . 31.0 mt -65.54 -36.04 76.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.975 0.417 . . . . 0.0 110.434 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -64.47 -21.8 66.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.248 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.72 65.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.071 0.462 . . . . 0.0 110.251 175.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 14.1 t60 -91.93 -28.94 16.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.593 174.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.51 -54.62 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.551 175.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.97 -21.11 64.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.121 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.417 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 26.2 t80 -66.42 -33.85 76.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.227 175.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.03 -17.64 63.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.664 175.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.54 -27.67 17.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.608 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.88 -19.32 52.2 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 111.218 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.438 HD13 ' HE3' ' A' ' 58' ' ' LYS . 3.0 mt -57.94 -54.9 50.69 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -177.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 14.8 Cg_endo -57.22 -30.07 85.98 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.084 1.856 . . . . 0.0 112.772 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -73.92 -50.1 21.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.243 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HB3' ' CZ3' ' A' ' 107' ' ' TRP . . . -68.18 -33.32 74.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.114 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.74 -41.62 95.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.107 0.48 . . . . 0.0 110.08 177.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -43.75 91.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.618 178.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.63 -41.21 85.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.244 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.485 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -63.0 -34.96 78.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.583 0.23 . . . . 0.0 110.918 -178.164 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.74 -32.3 31.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.735 0.302 . . . . 0.0 110.505 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.67 -21.75 61.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.414 0.626 . . . . 0.0 110.53 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.708 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -82.83 -38.57 14.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.744 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mt -65.44 -32.36 73.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.675 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -64.14 -45.86 86.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.689 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.05 -40.08 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.295 0.569 . . . . 0.0 110.525 176.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.674 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -75.66 -13.64 60.33 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -178.749 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -64.16 -44.7 91.31 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -35.03 44.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.444 0.64 . . . . 0.0 109.844 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.65 ' HB3' HD12 ' A' ' 13' ' ' LEU . . . -80.93 -0.12 37.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.775 -175.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.626 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -122.25 -35.6 3.1 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 176.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -27.15 65.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.835 0.35 . . . . 0.0 111.42 -175.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pp -71.88 -31.07 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.292 0.568 . . . . 0.0 110.394 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.45 -16.06 35.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.842 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 10.5 mm-40 -81.64 -21.71 38.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.336 178.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -100.94 -26.35 13.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.654 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -125.33 136.02 53.05 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -77.95 68.82 4.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.315 0.578 . . . . 0.0 109.473 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.879 HD12 ' HG ' ' A' ' 89' ' ' LEU . 3.0 pt -73.87 170.64 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.007 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.69 81.26 1.41 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.213 -176.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.879 ' HG ' HD12 ' A' ' 87' ' ' ILE . 8.3 mt -67.14 -25.85 66.38 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.407 176.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.2 m 59.78 46.88 10.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.955 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.85 -158.67 25.76 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.816 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -38.43 16.55 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.335 0.588 . . . . 0.0 109.808 177.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.427 ' OD1' ' HD2' ' A' ' 94' ' ' PRO . 0.9 OUTLIER -174.38 141.59 0.78 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.807 -179.641 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.427 ' HD2' ' OD1' ' A' ' 93' ' ' ASN . 54.9 Cg_endo -72.05 -37.31 4.92 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.204 1.936 . . . . 0.0 113.012 -178.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.731 ' CD2' HD11 ' A' ' 15' ' ' LEU . 3.9 m-85 -106.31 -40.98 5.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.374 -175.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.658 ' HB ' ' HA ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -120.39 88.52 2.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.049 0.452 . . . . 0.0 110.803 -174.087 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.4 m -54.61 -33.94 61.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.306 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -51.61 125.55 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.87 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.03 159.26 30.66 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.557 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.674 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 11.5 Cg_endo -54.94 -42.66 66.86 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.219 2.613 . . . . 0.0 112.445 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -68.08 -36.64 80.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.991 0.425 . . . . 0.0 110.175 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -63.09 -38.08 81.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.474 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.593 HG22 ' N ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -83.28 -34.9 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.212 -179.674 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.593 ' N ' HG22 ' A' ' 103' ' ' ILE . 1.3 t-20 -70.49 -51.49 28.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.594 0.235 . . . . 0.0 111.27 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.9 m -67.33 -23.96 65.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 111.132 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.502 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 2.4 mttt -70.83 -42.19 70.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 0.0 110.027 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.699 ' HB2' ' HE2' ' A' ' 28' ' ' MET . 54.0 t-105 -58.39 -41.95 86.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.972 175.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.4 -41.03 93.0 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.428 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.519 ' O ' HD12 ' A' ' 113' ' ' LEU . 19.7 mttm -66.22 -28.54 68.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.769 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.501 HG22 ' HE3' ' A' ' 32' ' ' MET . 2.2 t -72.48 -45.16 60.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.135 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -62.37 -43.71 98.17 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.131 -176.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -22.63 67.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.579 -176.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.5 mt -89.48 -12.89 38.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 110' ' ' VAL . 99.5 t -65.86 -56.54 17.17 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 119.05 -0.5 . . . . 0.0 112.191 -175.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.91 -32.38 55.0 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.016 1.811 . . . . 0.0 112.258 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.2 -46.62 76.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.192 0.52 . . . . 0.0 110.051 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.527 ' HG3' HD11 ' A' ' 121' ' ' LEU . 4.8 tpt180 -65.71 -37.67 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.415 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -36.98 66.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 175.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -78.95 -39.9 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.87 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.2 86.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.087 0.47 . . . . 0.0 110.57 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.609 ' HB3' HG12 ' A' ' 51' ' ' ILE . 12.8 mt -66.61 -46.42 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.709 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.774 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -64.32 -38.36 90.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.403 -179.122 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -42.82 86.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.036 0.446 . . . . 0.0 110.67 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.548 ' HG3' HD13 ' A' ' 47' ' ' ILE . 7.2 tp10 -71.07 -47.0 60.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.588 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.774 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -67.02 -20.78 65.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.475 -176.852 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.1 m -80.73 -12.36 59.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.995 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -93.77 -8.98 39.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.316 0.579 . . . . 0.0 109.819 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -84.89 -132.02 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.464 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.244 178.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.841 -0.504 . . . . 0.0 111.841 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -123.06 30.55 6.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.035 0.445 . . . . 0.0 110.468 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.713 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER 65.9 6.52 4.06 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.505 176.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' HB2' ' HE3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -58.46 -32.9 69.17 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.839 0.352 . . . . 0.0 111.936 -172.153 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' HE3' ' HB2' ' A' ' 4' ' ' GLU . 2.3 mmtp -83.6 -27.28 29.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.104 0.478 . . . . 0.0 109.779 -175.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.445 ' O ' HG12 ' A' ' 10' ' ' ILE . 46.7 mt-30 -79.53 -24.78 41.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.701 176.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 3' ' ' THR . 16.6 mt -78.7 -50.44 11.4 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.446 0.641 . . . . 0.0 109.884 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.06 -40.09 82.87 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.674 -171.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.44 78.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.239 0.542 . . . . 0.0 110.53 -175.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.534 HD12 HD13 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -93.62 -7.88 10.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.691 -177.797 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 2.9 t0 -80.54 -27.38 37.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -67.37 -34.54 77.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.101 171.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.429 HD11 ' HB3' ' A' ' 77' ' ' GLU . 37.3 mt -69.34 -33.76 73.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.493 173.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 39.7 m170 -61.54 -39.07 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 174.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.706 HD12 ' CD2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.84 -44.88 96.37 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.175 176.15 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.24 -32.85 74.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.593 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -70.63 -45.82 64.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.88 -23.95 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.615 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -22.13 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.486 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.472 ' HB3' HD12 ' A' ' 71' ' ' ILE . 4.4 mtm180 -105.43 -33.67 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.627 -176.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -74.79 -18.28 60.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.641 0.258 . . . . 0.0 110.33 177.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.85 -56.55 11.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.465 -177.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.52 -28.42 32.02 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 121.515 1.477 . . . . 0.0 111.904 177.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -66.72 -43.51 84.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.849 0.357 . . . . 0.0 110.103 177.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.3 t-20 -68.75 -30.21 68.78 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.31 0.576 . . . . 0.0 109.903 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.1 -38.07 75.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.474 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -66.71 -48.02 70.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.539 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 53.2 mtm -60.16 -41.99 93.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.198 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 4.7 mm-40 -70.98 -18.24 62.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.293 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 m -93.55 -41.91 9.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.016 0.436 . . . . 0.0 110.135 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.37 -56.09 5.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.765 -176.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.519 ' HE3' ' HG2' ' A' ' 106' ' ' LYS . 1.4 ttm -62.68 -35.19 78.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.652 -177.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -71.04 -39.81 72.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.453 -178.524 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -73.03 -37.34 66.95 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.66 -31.37 71.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -79.33 -40.57 30.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.453 176.055 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.4 133.75 56.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.357 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.78 110.06 15.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 110.613 -177.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -69.04 129.76 40.83 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.16 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 tp -107.17 131.64 56.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.449 ' CG1' HD23 ' A' ' 50' ' ' LEU . 3.0 m -126.56 98.09 4.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.516 0.674 . . . . 0.0 110.243 -177.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -75.58 -22.62 56.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.28 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -134.29 155.05 50.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.738 -177.885 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.517 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -75.07 -21.66 16.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.084 0.469 . . . . 0.0 110.738 -177.379 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -59.49 -37.1 77.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.924 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 43' ' ' THR . 1.1 pt-20 -85.58 -10.35 56.02 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.466 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.749 ' O ' HG12 ' A' ' 51' ' ' ILE . 28.6 mt -69.96 -46.99 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -61.94 -30.74 71.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.199 0.523 . . . . 0.0 110.344 -178.463 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.32 -43.22 21.03 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.449 HD23 ' CG1' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -55.66 -44.37 77.18 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.543 0.337 . . . . 0.0 111.315 176.634 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.749 HG12 ' O ' ' A' ' 47' ' ' ILE . 9.0 mm -63.93 -47.03 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.729 0.3 . . . . 0.0 110.339 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -62.7 -30.42 71.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.03 71.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.047 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -88.13 -25.66 22.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 110.121 177.215 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.37 -53.52 42.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.278 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -67.28 -24.18 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.192 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 46.0 t80 -65.84 -37.96 87.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.825 178.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.518 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.51 -11.37 60.77 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.701 176.318 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.99 -28.85 14.45 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.706 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -25.64 50.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.868 0.366 . . . . 0.0 110.795 173.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.45 HD22 ' CH2' ' A' ' 107' ' ' TRP . 1.6 mt -54.55 -57.31 19.4 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.63 -177.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 13.7 Cg_endo -57.01 -33.37 95.53 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.927 1.751 . . . . 0.0 112.415 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -69.84 -49.98 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.063 0.459 . . . . 0.0 110.462 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.23 -30.34 66.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.906 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.21 -46.36 88.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.083 0.468 . . . . 0.0 110.623 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -69.42 -29.9 67.72 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.359 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.22 -38.16 87.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.569 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -32.58 72.38 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.251 0.548 . . . . 0.0 110.413 177.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -43.58 28.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.249 177.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.92 -21.24 64.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.89 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -82.64 -37.24 14.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.527 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.728 HD21 ' HB3' ' A' ' 100' ' ' PRO . 1.5 mt -71.09 -20.91 62.29 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.424 174.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.67 -41.66 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.217 175.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.3 mt -65.39 -45.24 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.14 175.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -20.6 64.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.429 ' HB3' HD11 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -78.37 -31.71 48.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.078 0.466 . . . . 0.0 110.173 -179.401 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.88 -7.92 57.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.928 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -111.37 -37.72 5.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.41 174.415 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -48.52 -45.08 36.74 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 121.459 0.647 . . . . 0.0 111.911 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.534 HD13 HD12 ' A' ' 10' ' ' ILE . 1.4 pp -51.25 -47.21 33.65 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.963 176.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.17 -22.45 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 111.067 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 10.2 mm-40 -76.96 -29.28 55.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.987 176.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.3 m -83.6 -50.54 8.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.759 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.77 131.67 52.45 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -71.31 73.59 0.7 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.32 0.581 . . . . 0.0 110.523 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -79.05 -172.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.819 177.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.25 86.01 2.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.086 0.47 . . . . 0.0 110.281 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.99 165.3 9.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.718 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.482 ' HB2' ' HB3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -73.99 71.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.143 0.497 . . . . 0.0 110.319 175.549 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.68 -135.62 18.46 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -174.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.53 -34.62 11.4 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -172.25 117.59 0.41 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.412 176.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.482 ' HB3' ' HB2' ' A' ' 90' ' ' SER . 87.9 Cg_endo -79.37 -26.81 4.71 Favored 'Trans proline' 0 C--N 1.334 -0.229 0 C-N-CA 123.339 2.692 . . . . 0.0 112.857 -171.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.706 ' CD2' HD12 ' A' ' 15' ' ' LEU . 9.1 m-85 -102.92 -50.26 3.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.846 -173.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 96' ' ' THR . 1.1 m -128.79 96.38 4.36 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.1 m -80.71 68.28 6.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.545 0.688 . . . . 0.0 111.656 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.54 HG11 HG21 ' A' ' 96' ' ' THR . 1.4 m -125.98 152.58 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.898 174.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.527 ' HB ' ' HD2' ' A' ' 100' ' ' PRO . 23.0 p -110.06 167.52 8.97 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.607 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.728 ' HB3' HD21 ' A' ' 72' ' ' LEU . 17.1 Cg_endo -59.04 -24.69 74.68 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.505 2.137 . . . . 0.0 111.132 173.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -75.09 -49.01 21.04 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.714 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.424 HG22 ' HB ' ' A' ' 98' ' ' VAL . 4.4 mt -54.77 -49.31 69.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 104' ' ' ASN . 1.1 tp -65.01 -38.36 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.944 -178.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.52 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.3 t-20 -83.36 -46.38 12.64 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.3 m -65.99 -35.49 80.73 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.302 -0.159 . . . . 0.0 111.096 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.519 ' HG2' ' HE3' ' A' ' 32' ' ' MET . 9.8 mtpp -65.66 -39.75 91.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.525 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.8 t-105 -61.33 -44.22 97.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.472 175.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -42.64 98.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.548 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -64.73 -38.1 89.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.635 178.277 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.631 ' O ' HG23 ' A' ' 114' ' ' VAL . 3.2 t -58.83 -49.12 84.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.982 176.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 79.4 mm-40 -60.92 -45.51 94.35 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.007 -176.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.8 pt20 -69.45 -22.58 63.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -175.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -8.45 56.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.186 0.517 . . . . 0.0 110.774 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 110' ' ' VAL . 55.0 t -67.32 -56.7 12.2 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.726 -178.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' ' 119' ' ' HIS . 35.4 Cg_endo -65.52 -29.34 52.96 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.924 1.749 . . . . 0.0 111.722 177.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -63.21 -48.86 76.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.203 0.525 . . . . 0.0 109.999 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.511 ' HG3' HD11 ' A' ' 121' ' ' LEU . 2.0 tpt180 -66.5 -42.69 87.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.618 177.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -61.12 -29.27 69.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.201 0.524 . . . . 0.0 110.641 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 115' ' ' PRO . 1.5 t-160 -76.87 -46.13 25.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.795 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.83 76.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.811 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.511 HD11 ' HG3' ' A' ' 117' ' ' ARG . 19.1 mt -61.04 -51.93 67.09 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.737 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.537 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.4 OUTLIER -67.03 -39.32 86.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.576 178.346 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -63.48 -39.32 94.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.761 179.276 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -51.83 54.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.954 178.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.537 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.4 pt20 -64.01 -23.82 67.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.49 -12.78 60.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 111.16 178.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 123' ' ' GLU . 17.8 mttm -92.38 -12.83 31.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.182 0.515 . . . . 0.0 109.873 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -102.65 -128.89 0.23 Allowed 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.788 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.135 -0.936 . . . . 0.0 109.828 -178.617 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.359 -0.296 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.73 48.57 1.61 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.05 0.452 . . . . 0.0 110.567 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.04 90.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.427 -176.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.59 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -69.18 -18.45 63.92 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.329 -175.213 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -91.1 -30.98 16.42 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -177.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -67.05 -39.28 86.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.869 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 10' ' ' ILE . 1.7 pp -84.56 -26.9 27.68 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.142 -178.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.59 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -73.72 -35.97 65.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.699 0.285 . . . . 0.0 110.4 178.773 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.46 82.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.104 0.478 . . . . 0.0 110.184 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 7' ' ' LEU . 1.3 pp -81.81 -16.32 12.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.695 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.4 t70 -79.82 -26.5 40.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 21.3 mm-40 -74.5 -11.25 60.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.733 176.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -107.91 -5.05 17.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.148 0.499 . . . . 0.0 109.843 169.824 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -60.97 -36.39 79.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.218 174.213 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.768 HD11 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -80.25 -19.62 46.4 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.87 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.616 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.1 tp10 -64.82 -42.74 94.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.843 175.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.54 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -60.45 -44.82 95.46 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 173.311 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.52 -18.97 62.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.643 -178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -33.68 40.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.811 0.338 . . . . 0.0 110.608 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.426 ' HD2' ' OE2' ' A' ' 16' ' ' GLU . 3.8 mtp180 -89.26 -32.29 17.46 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.678 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -68.88 -20.11 64.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.11 -59.51 8.6 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.428 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.61 -25.2 34.73 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 121.685 1.59 . . . . 0.0 111.977 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.59 -40.58 69.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 110.324 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.9 t-20 -72.3 -27.96 62.79 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.39 0.614 . . . . 0.0 109.725 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -67.92 -42.1 81.57 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.19 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -68.35 -52.1 36.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.254 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.537 ' HE2' HG13 ' A' ' 103' ' ' ILE . 21.3 mtm -56.25 -44.8 80.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.348 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -65.95 -44.37 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.955 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -70.96 -39.27 72.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.73 0.3 . . . . 0.0 110.722 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.05 -45.82 66.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.942 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.515 ' HE3' ' HD3' ' A' ' 106' ' ' LYS . 12.7 ttm -62.2 -34.82 77.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.448 . . . . 0.0 110.334 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -72.23 -46.29 56.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.379 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -66.26 -38.86 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.01 0.433 . . . . 0.0 110.064 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 4.4 mp -72.21 -18.3 61.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.881 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -92.36 -38.94 11.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.427 -179.408 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -83.6 162.8 20.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.12 -175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.72 118.65 24.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.072 -176.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -70.23 144.88 51.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.791 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 40' ' ' ILE . 10.6 tp -109.81 131.34 61.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.403 0.62 . . . . 0.0 110.577 177.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.5 HG11 HD21 ' A' ' 50' ' ' LEU . 25.6 m -127.36 160.98 35.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.655 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -122.42 -40.77 2.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.092 0.472 . . . . 0.0 109.929 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -125.52 165.9 17.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.174 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.514 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -65.22 -26.26 39.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 121.063 0.458 . . . . 0.0 110.243 177.887 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.514 ' N ' HG13 ' A' ' 44' ' ' ILE . 12.5 mt-10 -62.83 -44.23 96.7 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.998 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -72.04 -32.85 67.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.773 0.32 . . . . 0.0 110.311 176.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.571 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -63.6 -35.9 74.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.951 178.676 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.89 -35.21 62.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.895 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.9 -32.44 73.62 Favored Glycine 0 CA--C 1.51 -0.262 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.59 ' HB3' HD21 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -59.06 -42.88 91.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.027 -0.587 . . . . 0.0 109.994 172.138 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.571 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.0 mm -66.29 -41.8 89.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.556 176.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 m -58.01 -40.38 80.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.874 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.438 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . . . -65.04 -25.64 67.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.914 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -85.09 -29.07 25.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.619 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.11 -49.75 59.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' HG2' ' HA ' ' A' ' 53' ' ' ALA . 2.7 pt20 -65.85 -22.93 66.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.209 0.528 . . . . 0.0 110.186 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -65.99 -38.05 87.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.495 174.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -74.1 -10.28 59.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 176.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m -89.92 -35.8 15.38 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.307 0.575 . . . . 0.0 109.714 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.9 m -78.65 -22.87 46.23 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.793 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -59.03 11.29 Favored Pre-proline 0 C--O 1.22 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.031 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.98 -29.29 75.54 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.051 1.834 . . . . 0.0 112.258 -178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -49.78 39.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.284 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.72 -26.31 61.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.472 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -60.25 -47.5 85.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.909 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -64.23 -37.59 88.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.116 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.21 -31.5 72.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.605 -179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -61.48 -34.42 75.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.86 0.362 . . . . 0.0 110.736 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -24.57 18.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.38 178.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.87 -8.15 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 110.504 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.26 -39.83 11.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.162 -0.926 . . . . 0.0 108.782 176.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.889 HD23 ' HD1' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -71.19 -22.65 62.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.018 173.627 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.75 -41.57 64.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.26 -39.54 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.703 0.764 . . . . 0.0 109.86 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.889 ' HD1' HD23 ' A' ' 72' ' ' LEU . 11.7 t-160 -58.1 -37.62 74.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.456 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 72' ' ' LEU . 1.1 mmmp? -55.03 -43.08 73.4 Favored 'General case' 0 C--N 1.311 -1.106 0 O-C-N 123.776 0.673 . . . . 0.0 110.794 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -36.33 73.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 110.428 -177.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.3 -12.68 42.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.564 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -94.99 -36.58 11.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.008 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -65.57 -24.94 67.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.3 pp -71.97 -31.76 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.824 0.345 . . . . 0.0 110.651 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.23 -16.78 48.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.38 0.61 . . . . 0.0 110.209 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -85.06 -39.9 17.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.378 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -84.45 -28.64 26.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.484 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -122.9 139.02 54.49 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -86.04 60.01 5.98 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.532 0.682 . . . . 0.0 109.75 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pt -73.13 -170.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.834 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.66 91.57 3.01 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 176.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.3 mt -58.03 92.33 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.787 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -50.96 67.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.263 0.554 . . . . 0.0 110.036 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.439 ' O ' ' HD3' ' A' ' 94' ' ' PRO . . . -116.54 98.46 0.81 Allowed Glycine 0 N--CA 1.441 -1.013 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.73 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -31.16 68.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.293 0.568 . . . . 0.0 109.481 176.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -130.44 73.68 81.0 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.136 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 91' ' ' GLY . 53.4 Cg_endo -73.24 -34.56 5.96 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.783 1.655 . . . . 0.0 110.582 173.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.768 ' CE2' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -133.7 -35.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.008 -0.997 . . . . 0.0 108.42 176.782 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 98' ' ' VAL . 0.1 OUTLIER -83.5 71.78 10.3 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.416 -178.267 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.92 42.92 0.66 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 122.541 1.162 . . . . 0.0 110.618 175.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.434 ' H ' ' C ' ' A' ' 96' ' ' THR . 0.2 OUTLIER -137.95 106.78 4.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 CA-C-N 113.891 -1.504 . . . . 0.0 109.774 -178.168 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.49 154.05 73.85 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.429 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 9.5 Cg_endo -53.35 -39.6 80.87 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.888 2.392 . . . . 0.0 112.208 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -70.03 -34.21 72.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.246 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.89 -44.18 96.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.346 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.537 HG13 ' HE2' ' A' ' 28' ' ' MET . 1.9 tt -76.81 -36.58 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 111.432 -177.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.475 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 0.6 OUTLIER -75.47 -45.91 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.732 0.301 . . . . 0.0 111.136 -176.798 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 39.9 m -69.82 -23.91 63.38 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.161 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.515 ' HD3' ' HE3' ' A' ' 32' ' ' MET . 3.2 mttm -74.97 -38.34 61.69 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -59.81 -42.67 93.97 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 171.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -34.31 76.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.72 178.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -66.82 -38.76 87.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.97 0.414 . . . . 0.0 110.143 175.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 114' ' ' VAL . 54.6 t -61.88 -45.25 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.162 175.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.42 -20.72 66.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.154 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -27.86 27.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.478 HD22 ' HG3' ' A' ' 36' ' ' GLN . 3.2 mt -92.34 -17.57 24.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.649 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 16.0 t -56.46 -54.17 56.21 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.228 176.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.649 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 23.7 Cg_exo -65.83 -25.31 53.17 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.494 2.13 . . . . 0.0 112.169 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -54.02 35.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 109.656 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.55 ' HG3' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -68.88 -31.52 70.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.535 177.74 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.429 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 0.2 OUTLIER -61.9 -33.96 75.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.272 0.558 . . . . 0.0 109.794 178.563 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -87.59 -39.82 14.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.444 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.38 -35.57 77.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.507 177.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 50' ' ' LEU . 21.4 mt -71.15 -51.23 26.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.733 177.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -45.26 83.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.749 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -31.51 72.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.812 0.339 . . . . 0.0 111.076 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.491 ' CD ' ' HZ1' ' A' ' 127' ' ' LYS . 15.9 tp10 -83.8 -48.18 10.35 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.057 -178.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -24.64 67.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.706 -175.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.6 m -87.13 -2.71 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.318 . . . . 0.0 111.439 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.491 ' HZ1' ' CD ' ' A' ' 124' ' ' GLU . 0.5 OUTLIER -105.18 -5.13 20.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.216 0.531 . . . . 0.0 110.176 176.215 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.41 ' HB3' HG22 ' A' ' 44' ' ' ILE . 2.6 mt-30 -100.71 -47.82 4.71 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.658 0.742 . . . . 0.0 110.447 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.305 -1.353 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.054 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.918 0.39 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 -25.77 62.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.043 0.449 . . . . 0.0 111.051 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.719 HG21 HG12 ' A' ' 81' ' ' ILE . 1.1 pt -101.75 -6.02 9.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.203 0.525 . . . . 0.0 110.942 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -77.43 -31.02 53.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.362 0.601 . . . . 0.0 109.687 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 62.4 mm-40 -68.47 -20.64 64.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.82 172.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.89 HD13 ' HB3' ' A' ' 77' ' ' GLU . 26.8 mt -82.6 -36.42 26.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -59.42 -31.14 69.0 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 171.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.64 HD23 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -60.12 -47.77 84.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.983 178.341 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.78 -28.75 62.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.501 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 2.6 t80 -67.12 -47.54 70.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -29.14 69.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -32.61 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.473 -177.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -98.95 -31.24 11.92 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.55 -177.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.2 -20.67 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.655 0.264 . . . . 0.0 110.575 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.455 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.41 -58.42 10.37 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.81 -176.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.455 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 39.9 Cg_endo -68.16 -31.03 30.42 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.443 1.428 . . . . 0.0 111.567 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.466 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.2 t80 -66.67 -40.48 88.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.702 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -69.67 -28.13 65.61 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.411 0.624 . . . . 0.0 110.075 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.9 -40.24 48.1 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.307 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -64.63 -51.19 63.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.239 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.526 ' O ' ' HB2' ' A' ' 32' ' ' MET . 25.6 mtm -58.29 -39.93 80.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.788 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.26 -51.7 49.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.057 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -60.84 -41.13 95.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.147 0.499 . . . . 0.0 110.64 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.34 75.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.833 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.526 ' HB2' ' O ' ' A' ' 28' ' ' MET . 7.1 ttm -62.91 -35.82 81.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.444 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.96 -47.96 78.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.422 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -72.28 -34.65 68.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.357 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.17 -30.89 63.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.811 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -70.1 -44.5 68.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.53 178.549 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -70.22 135.32 48.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.906 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 6.6 tpt -74.16 120.82 20.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.909 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -72.89 138.91 46.51 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.693 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.4 tp -117.28 131.84 68.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.953 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.921 HG21 HG12 ' A' ' 47' ' ' ILE . 4.4 m -125.34 152.99 32.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.376 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -107.7 -65.52 1.1 Allowed 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.698 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -98.04 168.1 10.49 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.214 -174.282 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -37.75 80.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.137 -176.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.698 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 1.4 mp0 -54.79 -33.1 61.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.703 177.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -79.46 -30.86 42.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.922 0.391 . . . . 0.0 110.553 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.921 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -70.05 -34.16 58.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.187 -179.65 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 1.5 pt-20 -81.45 -35.66 30.31 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.36 -34.78 90.3 Favored Glycine 0 C--N 1.328 0.125 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.748 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.98 -37.8 86.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.347 0.594 . . . . 0.0 110.189 175.339 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 47' ' ' ILE . 12.9 mt -69.16 -37.48 76.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.839 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 m -59.56 -30.97 69.01 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.953 0.406 . . . . 0.0 110.919 174.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.82 -22.81 65.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.24 0.543 . . . . 0.0 110.607 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.81 -26.83 19.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.799 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.91 -56.24 23.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.673 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -67.27 -18.64 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.717 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -74.7 -40.15 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.37 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.64 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.63 -14.92 63.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.653 178.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.83 -30.86 12.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.907 0.384 . . . . 0.0 110.649 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -27.82 32.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.64 HD12 ' HE3' ' A' ' 58' ' ' LYS . 2.2 mt -54.53 -57.62 17.94 Favored Pre-proline 0 C--O 1.222 -0.388 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.004 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 18.8 Cg_endo -58.78 -27.92 85.28 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.861 1.707 . . . . 0.0 112.48 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -78.04 -48.67 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.427 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 67' ' ' GLU . . . -69.94 -24.31 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.366 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.85 -47.81 81.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.101 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -68.44 -29.21 67.81 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.122 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HG3' HD12 ' A' ' 71' ' ' ILE . 3.4 tp10 -60.81 -43.44 98.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.558 176.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -62.05 -37.18 84.0 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.985 0.421 . . . . 0.0 110.524 178.601 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -72.53 -35.04 67.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.464 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.32 -17.35 61.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.156 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.424 HD12 ' HG3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -83.3 -37.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.4 mt -70.12 -26.78 64.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.242 172.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.454 ' O ' ' HE3' ' A' ' 76' ' ' LYS . . . -67.44 -19.29 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.892 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.8 mt -88.9 -38.09 10.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.701 0.762 . . . . 0.0 109.626 173.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.457 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -70.22 -24.56 63.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.795 -176.815 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HE3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -63.93 -34.43 77.95 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.894 0.378 . . . . 0.0 110.754 -178.676 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.89 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -77.62 -34.85 53.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.013 0.435 . . . . 0.0 110.543 179.069 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.488 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -87.43 -14.67 39.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.101 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 3.0 tp60 -99.71 -31.25 11.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.166 -0.334 . . . . 0.0 111.698 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -63.18 -26.07 68.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.938 -172.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.719 HG12 HG21 ' A' ' 10' ' ' ILE . 2.4 pp -70.85 -33.01 50.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 0.0 110.36 176.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.5 -23.36 46.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.275 0.56 . . . . 0.0 110.594 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 18.3 mm-40 . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.191 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.64 ' CE2' HD23 ' A' ' 15' ' ' LEU . 18.6 m-85 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.697 0.284 . . . . 0.0 111.592 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.0 t -128.1 114.55 17.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.195 0.521 . . . . 0.0 110.532 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.87 68.76 6.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.5 0.667 . . . . 0.0 112.084 -174.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.06 126.58 56.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.193 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.64 153.04 43.91 Favored Pre-proline 0 C--N 1.316 -0.848 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.69 -40.93 38.6 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.509 2.139 . . . . 0.0 112.283 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -68.09 -41.44 81.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.275 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.1 mp -59.58 -39.01 78.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -80.18 -32.93 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.708 0.29 . . . . 0.0 111.198 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.474 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 1.6 t-20 -75.22 -48.95 21.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.931 0.396 . . . . 0.0 111.021 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.3 m -67.52 -29.16 68.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.253 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 4.7 mttt -66.51 -40.53 89.26 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -61.66 -42.5 98.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.092 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.98 -32.47 73.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.773 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 2.8 mttt -68.22 -42.35 79.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.0 110.134 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 114' ' ' VAL . 49.0 t -59.86 -47.36 91.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.473 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -63.21 -40.89 98.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.723 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 2.6 pt20 -69.0 -24.16 64.18 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.563 -177.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mt -86.21 -14.13 44.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 111.008 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.709 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 72.9 t -59.95 -57.26 28.1 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.858 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.709 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 25.1 Cg_exo -63.43 -39.91 34.18 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.547 2.165 . . . . 0.0 112.289 -177.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -53.52 -48.06 69.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.165 0.507 . . . . 0.0 110.738 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 117' ' ' ARG . 0.8 OUTLIER -76.18 -37.09 58.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.809 -179.403 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.81 -29.76 70.74 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.292 0.567 . . . . 0.0 110.4 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -80.23 -47.37 14.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.577 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.48 87.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.893 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.481 ' HB3' HG12 ' A' ' 51' ' ' ILE . 18.6 mt -62.33 -52.32 64.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.774 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.0 OUTLIER -68.41 -33.56 74.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.639 -177.458 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.42 -44.15 79.48 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.334 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -43.13 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.774 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.6 OUTLIER -66.87 -26.8 67.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.003 -178.485 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.3 m -84.57 -8.89 58.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.968 0.413 . . . . 0.0 111.296 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.29 6.37 37.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.119 0.485 . . . . 0.0 110.107 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.43 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 25.1 mm-40 -83.37 -128.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.728 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.43 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 1.4 pt20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.383 -0.817 . . . . 0.0 110.046 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.92 0.39 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.22 -39.77 65.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.307 0.575 . . . . 0.0 109.956 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.413 HG21 HG21 ' A' ' 81' ' ' ILE . 1.1 pt -84.34 -5.33 9.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.497 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.5 t0 -71.94 -24.35 61.61 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.523 ' HA ' HD23 ' A' ' 15' ' ' LEU . 47.0 mm-40 -73.22 -28.34 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.386 174.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -72.64 -34.36 67.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 170.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 33.5 m170 -62.19 -29.93 70.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.623 175.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.616 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -64.38 -44.9 89.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 175.622 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.85 -35.37 80.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.375 0.607 . . . . 0.0 110.088 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.683 ' HB3' HG21 ' A' ' 96' ' ' THR . 0.4 OUTLIER -68.83 -42.36 77.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.151 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' CA ' HG23 ' A' ' 96' ' ' THR . . . -75.39 -13.85 60.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.383 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -27.21 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 0.0 111.134 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.517 ' HB3' HD11 ' A' ' 71' ' ' ILE . 31.7 mtp85 -100.12 -42.06 6.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.759 0.314 . . . . 0.0 111.427 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -9.2 58.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.954 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -73.84 -55.53 3.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.639 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.782 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 19.6 Cg_exo -66.7 -30.14 42.11 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.739 1.626 . . . . 0.0 111.194 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.471 ' CE1' ' HB1' ' A' ' 64' ' ' ALA . 1.4 t80 -65.58 -42.69 91.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.537 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -72.03 -28.37 63.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.344 0.592 . . . . 0.0 109.93 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -73.55 -35.64 65.53 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.099 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -66.57 -50.64 62.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.607 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.7 mtt -55.59 -49.56 72.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.375 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -41.59 86.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.313 -177.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 m -78.71 -36.27 43.7 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.387 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.97 -52.18 9.83 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -175.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.537 ' HE2' ' HB3' ' A' ' 109' ' ' LYS . 0.7 OUTLIER -65.01 -36.81 85.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.837 0.351 . . . . 0.0 110.735 -176.266 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -41.18 86.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.237 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -68.43 -31.96 71.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.099 0.476 . . . . 0.0 110.26 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' HA ' ' NE ' ' A' ' 117' ' ' ARG . 3.6 mp -74.6 -36.84 63.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.858 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.83 -36.42 42.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.932 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -75.47 151.57 38.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.107 0.48 . . . . 0.0 111.452 -175.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.94 104.58 6.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.578 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -64.12 136.16 57.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.199 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.3 tp -104.35 132.5 50.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.348 0.594 . . . . 0.0 109.968 175.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -126.92 156.16 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.877 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -118.98 -52.19 2.32 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.64 159.02 26.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.598 -172.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.855 HG13 ' HA ' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -52.88 -37.44 25.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.945 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -43.38 84.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.715 0.293 . . . . 0.0 111.479 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.71 -34.35 67.06 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.265 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.702 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -65.61 -38.42 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.616 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.32 -35.97 76.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.944 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.41 -37.29 62.75 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.538 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -55.63 -45.46 77.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.029 -0.585 . . . . 0.0 110.624 174.371 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.702 HG12 ' O ' ' A' ' 47' ' ' ILE . 1.4 mm -68.81 -41.03 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.627 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.6 m -59.76 -45.01 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.28 69.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.797 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.432 ' O ' ' HB3' ' A' ' 57' ' ' PHE . 1.9 t60 -75.85 -32.74 59.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.543 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.29 -41.35 61.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.393 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -64.94 -30.17 71.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.402 0.62 . . . . 0.0 109.617 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 31.9 t80 -61.52 -38.1 86.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.572 174.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.687 ' HE3' HD12 ' A' ' 61' ' ' LEU . 4.8 mmmm -70.68 -12.67 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.292 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.433 ' O ' ' HD2' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -96.71 -31.83 12.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.214 0.53 . . . . 0.0 110.073 177.56 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -76.86 -24.66 52.63 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.334 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.687 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.0 OUTLIER -56.4 -55.55 41.21 Favored Pre-proline 0 C--O 1.222 -0.37 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.811 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 52.3 Cg_exo -56.77 -35.94 98.26 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.055 1.836 . . . . 0.0 112.539 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -70.24 -46.37 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.123 0.487 . . . . 0.0 110.801 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.471 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -71.32 -30.21 65.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.641 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.484 ' O ' ' HD2' ' A' ' 68' ' ' ARG . 2.9 t70 -61.03 -46.18 91.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.958 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -41.26 94.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.492 177.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' A' ' 20' ' ' ARG . 42.0 mm-40 -60.53 -41.79 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.852 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HD2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -57.89 -41.09 81.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.99 -179.057 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -39.82 61.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.891 0.377 . . . . 0.0 110.605 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.34 -15.01 63.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.247 0.546 . . . . 0.0 111.047 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.556 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -91.28 -36.24 7.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -68.0 -28.25 67.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.402 173.542 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.72 85.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.769 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 71' ' ' ILE . 18.5 mt -65.67 -42.58 92.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.445 0.641 . . . . 0.0 110.309 177.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -71.85 -15.92 62.14 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.913 -179.036 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -40.52 71.72 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -74.74 -37.71 62.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.191 0.52 . . . . 0.0 109.608 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.51 -5.78 55.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.404 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 2.4 tp60 -104.27 -41.32 5.82 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.217 175.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 ptt85 -61.06 -22.98 65.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.309 . . . . 0.0 111.05 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.413 HG21 HG21 ' A' ' 10' ' ' ILE . 1.5 pp -63.89 -45.07 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.019 0.438 . . . . 0.0 110.084 175.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.44 -19.95 44.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.225 0.536 . . . . 0.0 110.5 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.265 175.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.616 ' CD2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.453 0 CA-C-O 121.486 0.66 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.683 HG21 ' HB3' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -86.61 75.06 9.75 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.87 -177.398 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.54 51.37 2.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.073 0.939 . . . . 0.0 110.787 174.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.508 HG23 HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -135.6 96.35 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 114.145 -1.389 . . . . 0.0 110.055 -178.39 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.681 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -75.7 154.56 85.36 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.543 -178.143 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.681 ' HD2' HG22 ' A' ' 99' ' ' THR . 9.2 Cg_endo -52.36 -40.67 70.16 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.99 2.46 . . . . 0.0 112.802 -178.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -68.21 -42.13 80.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.976 0.417 . . . . 0.0 110.08 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.662 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -57.77 -34.75 48.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.047 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.4 -31.66 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.425 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -75.65 -51.94 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.608 0.242 . . . . 0.0 111.246 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 m -67.21 -31.15 71.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.884 0.373 . . . . 0.0 110.593 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.662 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -63.94 -43.35 96.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 174.774 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -62.51 -40.94 98.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.613 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -39.56 90.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.074 0.464 . . . . 0.0 110.456 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 5.2 ttmt -66.35 -40.91 90.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.401 176.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 114' ' ' VAL . 54.6 t -57.03 -46.25 84.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 110.438 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -59.28 -45.13 92.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.453 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.5 pt20 -74.92 -20.05 59.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.263 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.419 ' HB3' HD23 ' A' ' 35' ' ' LEU . 3.7 mt -84.64 -14.53 48.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.603 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.445 HG11 ' HD3' ' A' ' 58' ' ' LYS . 37.9 t -62.22 -58.5 17.16 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.486 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.84 -26.21 44.91 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.129 1.886 . . . . 0.0 112.06 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -68.9 -51.76 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.22 178.238 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -65.33 -33.04 75.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.941 176.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.13 -31.91 73.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.057 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.38 -45.77 52.9 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.103 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.38 71.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 50' ' ' LEU . 21.3 mt -67.74 -48.95 64.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.807 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 1.015 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -66.35 -30.04 70.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.728 -179.24 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -46.5 87.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.593 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -79.54 -38.61 33.81 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.355 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 1.015 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.4 pt20 -63.37 -27.7 69.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.587 0.232 . . . . 0.0 111.466 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 14.7 m -78.83 -7.82 58.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.384 0.611 . . . . 0.0 110.587 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -111.43 -5.41 14.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.686 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -131.6 85.91 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.193 -175.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.855 ' HA ' HG13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.21 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.111 176.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.496 ' HA ' ' HB2' ' A' ' 11' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.573 0.225 . . . . 0.0 111.16 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.0 86.73 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.613 0.721 . . . . 0.0 109.316 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.576 HG21 HG12 ' A' ' 81' ' ' ILE . 1.1 pt -89.24 -7.37 10.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.801 178.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.496 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -77.05 -32.4 56.89 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.432 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.508 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 71.1 mm-40 -69.22 -21.32 63.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.873 171.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.5 mt -79.35 -39.27 33.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.42 ' CE1' HD12 ' A' ' 10' ' ' ILE . 48.3 m170 -59.65 -30.36 68.69 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 171.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.601 HD23 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -61.44 -52.39 64.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.687 177.225 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -28.27 67.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.409 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.432 ' HE2' ' CB ' ' A' ' 75' ' ' HIS . 1.7 t80 -67.67 -45.46 75.15 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.3 -14.18 61.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.476 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 -8.3 24.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.545 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 20' ' ' ARG . 1.1 mtt-85 -118.3 -41.7 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.374 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.34 -11.89 60.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.724 0.297 . . . . 0.0 110.631 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -73.63 -58.1 2.37 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.961 -177.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 33.0 Cg_endo -66.08 -29.11 48.59 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.504 1.47 . . . . 0.0 111.106 175.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.484 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.6 t80 -67.85 -41.7 82.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.407 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.702 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.4 t-20 -68.99 -31.33 70.1 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -68.85 -37.37 79.07 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.111 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -69.35 -46.9 65.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.776 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.69 ' HB3' ' HE3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -55.28 -29.82 58.92 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.009 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.702 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 4.8 mm-40 -72.72 -64.1 1.03 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.598 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -39.93 93.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.831 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.73 -53.89 10.43 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -39.65 94.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.13 -175.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -37.65 85.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.338 -178.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.45 -35.71 70.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 109.958 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -40.85 88.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.029 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.54 -15.34 43.02 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.355 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.6 150.11 34.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.937 0.398 . . . . 0.0 110.956 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.5 mtm -87.62 105.6 17.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.765 177.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -64.75 141.09 58.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.802 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 40' ' ' ILE . 8.2 tp -120.66 134.75 63.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.668 172.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.848 HG21 HG12 ' A' ' 47' ' ' ILE . 17.2 m -124.68 155.94 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.926 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -115.83 -53.29 2.58 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.252 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.3 p -102.21 166.06 10.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.888 ' HB ' ' HA ' ' A' ' 129' ' ' GLN . 0.6 OUTLIER -67.82 -21.31 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.267 0.556 . . . . 0.0 109.92 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.15 -50.66 69.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.965 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.25 -31.75 73.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.0 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.848 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -65.73 -34.02 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.255 -179.75 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -80.57 -31.4 36.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.05 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.64 -41.27 75.83 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -58.1 -44.77 87.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.327 0.584 . . . . 0.0 110.531 176.467 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.419 HG12 ' HB3' ' A' ' 121' ' ' LEU . 70.1 mt -73.89 -35.28 42.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.336 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -60.06 -41.08 91.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.971 0.415 . . . . 0.0 110.017 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.15 -33.08 74.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.82 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' PHE . 1.1 t60 -71.78 -38.25 70.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.603 178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.74 -51.33 62.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.538 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -63.52 -25.51 68.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.408 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 34.8 t80 -60.81 -36.79 79.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.226 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.681 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -72.15 -11.5 60.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.012 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.29 -30.72 13.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.295 0.569 . . . . 0.0 110.253 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.29 -25.16 54.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.959 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.681 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.5 mt -57.35 -56.13 37.12 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.143 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 18.2 Cg_endo -59.08 -31.0 94.75 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.909 1.74 . . . . 0.0 112.582 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -72.53 -48.65 38.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.3 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.416 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -72.39 -29.1 63.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.17 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.451 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 16.2 t0 -64.15 -47.04 81.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.146 0.498 . . . . 0.0 110.24 177.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -33.08 75.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.09 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -63.44 -45.07 92.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.509 176.596 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -61.19 -42.64 98.94 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.931 0.396 . . . . 0.0 110.41 178.735 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -65.42 -37.74 87.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.55 -20.12 60.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.254 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -84.65 -37.42 12.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 72' ' ' LEU . 9.8 mt -67.88 -28.73 67.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.062 172.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.53 -36.88 79.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.42 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.4 mt -67.76 -43.79 86.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.995 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.432 ' CB ' ' HE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -74.31 -13.17 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.287 -177.508 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 11.6 mttt -58.73 -49.32 78.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.704 0.288 . . . . 0.0 110.879 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -80.68 -29.44 36.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.417 0.627 . . . . 0.0 109.743 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.497 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -75.58 -21.02 58.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.444 -177.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -98.97 -32.73 11.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.709 0.29 . . . . 0.0 111.043 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -62.42 -31.38 72.06 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -173.461 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.576 HG12 HG21 ' A' ' 10' ' ' ILE . 2.4 pp -66.46 -33.41 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.229 0.537 . . . . 0.0 110.236 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.02 -25.67 29.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.692 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.338 176.391 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.601 ' CE2' HD23 ' A' ' 15' ' ' LEU . 10.6 m-85 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.735 0.302 . . . . 0.0 111.395 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.6 t -128.81 142.08 51.09 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.018 -175.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.2 m -108.46 67.54 0.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.39 0.614 . . . . 0.0 111.2 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.89 109.48 12.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.603 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.406 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -80.35 158.4 71.73 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.249 177.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' A' ' 99' ' ' THR . 12.4 Cg_endo -56.04 -37.1 96.73 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.608 2.206 . . . . 0.0 111.748 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.53 -38.82 74.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.504 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -40.91 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.4 -36.51 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -177.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -76.04 -40.26 53.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.574 0.226 . . . . 0.0 111.521 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 m -75.45 -29.86 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.988 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.69 ' HE3' ' HB3' ' A' ' 28' ' ' MET . 0.2 OUTLIER -66.11 -44.13 85.21 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.014 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.451 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 64.7 t-105 -57.83 -42.58 84.64 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.407 176.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.508 ' HB3' ' HE2' ' A' ' 109' ' ' LYS . 1.6 tm-20 -53.05 -42.89 66.22 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.533 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.508 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 3.0 mmtt -77.27 -33.96 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.737 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 106' ' ' LYS . 41.9 t -56.8 -47.85 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.629 177.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -59.53 -41.58 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.773 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 6.4 pt20 -82.09 -12.43 58.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.604 -174.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.4 mt -88.95 -15.81 33.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.978 0.418 . . . . 0.0 110.94 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.83 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 64.1 t -60.6 -59.24 14.48 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.297 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.83 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 31.7 Cg_exo -62.05 -35.63 75.12 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.535 2.157 . . . . 0.0 112.645 -178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -58.78 -50.65 73.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.114 0.483 . . . . 0.0 110.199 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -70.85 -30.98 67.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.593 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -35.77 80.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.545 0.688 . . . . 0.0 109.981 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -72.65 -44.33 62.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.186 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.83 87.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.799 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.419 ' HB3' HG12 ' A' ' 51' ' ' ILE . 16.8 mt -65.55 -51.69 58.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.414 -176.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.645 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -63.21 -38.25 90.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.106 -178.099 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -40.65 95.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.869 0.366 . . . . 0.0 110.538 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.33 -52.99 15.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.645 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.7 OUTLIER -57.79 -27.0 62.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.761 -175.215 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.6 m -65.38 -33.7 76.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.788 0.328 . . . . 0.0 111.76 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.13 9.97 28.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.944 0.402 . . . . 0.0 110.093 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -132.25 24.46 4.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -174.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.888 ' HA ' ' HB ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.234 -0.888 . . . . 0.0 109.676 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.23 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.18 85.52 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.207 0.527 . . . . 0.0 109.901 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.601 ' HB ' ' HA ' ' A' ' 78' ' ' ALA . 1.2 pp -85.25 -13.74 11.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.579 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.9 t0 -75.19 -30.45 60.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.872 175.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -69.5 -30.22 68.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.641 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.52 -9.88 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 0.0 110.182 175.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -60.13 -28.95 68.31 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 171.609 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.7 OUTLIER -60.19 -39.93 88.24 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.925 177.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.79 -34.54 78.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.99 -45.73 80.56 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HA ' ' OG1' ' A' ' 96' ' ' THR . . . -71.77 -21.71 61.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.808 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.98 -23.27 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.098 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -105.17 -37.33 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.903 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -20.35 64.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.893 0.377 . . . . 0.0 110.176 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.34 -58.34 10.68 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.861 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 40.9 Cg_endo -68.12 -33.31 25.43 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.456 1.437 . . . . 0.0 111.753 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.92 -41.77 97.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.721 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -72.06 -24.29 61.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.304 0.574 . . . . 0.0 110.099 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -72.39 -41.48 66.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.99 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -65.53 -47.06 77.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.104 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.628 ' HE2' ' HE3' ' A' ' 107' ' ' TRP . 1.8 mmt -54.77 -38.2 66.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.302 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -53.1 44.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.7 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -41.71 81.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.882 0.372 . . . . 0.0 111.114 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.02 -52.87 24.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.577 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.503 ' HE2' ' HB2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -61.03 -36.72 80.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.727 0.299 . . . . 0.0 110.77 -177.136 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.91 -46.05 83.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.594 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -73.54 -31.11 63.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.398 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -58.08 -29.97 65.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.349 -175.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' H ' ' HG2' ' A' ' 36' ' ' GLN . 1.9 pt20 -101.91 -11.99 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.876 0.37 . . . . 0.0 111.582 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.26 152.1 24.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.989 0.423 . . . . 0.0 111.654 -172.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.77 111.12 19.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.298 0.571 . . . . 0.0 110.447 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 121' ' ' LEU . 26.4 p90 -69.53 139.87 53.85 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.067 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 tp -106.88 133.29 51.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.282 0.563 . . . . 0.0 110.237 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.61 HG12 HD23 ' A' ' 50' ' ' LEU . 23.5 m -118.22 161.09 17.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.715 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -120.46 -50.5 2.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.023 0.439 . . . . 0.0 110.601 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.491 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.8 OUTLIER -113.0 168.69 9.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.996 179.471 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -43.77 90.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.09 0.471 . . . . 0.0 110.627 177.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 52.9 mp0 -58.33 -33.36 69.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.191 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.99 -36.09 79.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.612 HG13 ' HG3' ' A' ' 128' ' ' GLN . 0.2 OUTLIER -67.11 -34.82 72.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.787 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.33 -32.56 49.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.962 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.79 -30.94 65.36 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.61 HD23 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -62.29 -40.04 94.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.207 173.589 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.636 HD13 HD22 ' A' ' 121' ' ' LEU . 6.8 mm -60.7 -41.82 89.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.076 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 m -60.74 -32.28 71.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.928 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.59 -7.37 43.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.202 0.525 . . . . 0.0 111.005 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.78 -42.04 5.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.65 -47.72 74.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.191 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -72.38 -21.43 61.29 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.132 0.491 . . . . 0.0 109.886 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -68.73 -37.79 79.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.91 -22.38 66.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.15 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -84.6 -29.0 26.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.076 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -19.35 47.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.035 0.445 . . . . 0.0 110.756 175.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.4 mt -57.69 -52.27 75.57 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.525 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 11.8 Cg_endo -55.77 -35.97 94.42 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.174 1.916 . . . . 0.0 112.883 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -77.61 -42.89 33.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.792 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.68 -33.9 73.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.975 0.417 . . . . 0.0 110.837 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 8.8 t70 -61.76 -38.23 87.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.317 0.58 . . . . 0.0 110.01 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.2 -45.93 91.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.364 176.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.85 -38.92 90.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.219 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.03 -41.35 92.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.694 0.283 . . . . 0.0 110.732 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -74.86 -37.36 62.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.699 0.285 . . . . 0.0 110.411 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.21 -21.28 64.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.701 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.651 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -85.4 -38.28 12.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.72 -31.26 72.16 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.234 173.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.6 99.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.407 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 71' ' ' ILE . 23.6 mt -62.24 -44.05 98.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.576 177.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.549 ' HA ' ' HB3' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -70.34 -15.11 62.83 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.905 -178.159 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -42.98 98.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -79.83 -35.0 38.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.55 176.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.601 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -82.15 4.34 23.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.902 -176.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 1.5 tp60 -122.86 -24.44 4.81 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.203 176.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -60.77 -30.62 70.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.382 -175.354 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.46 HG12 HG12 ' A' ' 10' ' ' ILE . 2.0 pp -71.28 -27.14 28.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.388 0.613 . . . . 0.0 110.809 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.12 -30.56 43.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 62.5 mt-10 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.392 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.601 ' CD2' HD13 ' A' ' 15' ' ' LEU . 4.5 m-30 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.897 0.38 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.689 ' CG2' HG22 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -128.67 109.43 11.33 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.311 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.5 m -62.38 -34.64 77.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.926 -171.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.689 HG22 ' CG2' ' A' ' 96' ' ' THR . 2.7 m -45.08 136.85 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -175.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.683 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -94.8 167.77 12.47 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.534 174.173 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.683 ' HD2' HG22 ' A' ' 99' ' ' THR . 21.7 Cg_endo -59.46 -32.04 95.73 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.357 2.038 . . . . 0.0 111.582 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -74.74 -31.88 61.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.782 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.572 HG12 ' OG1' ' A' ' 99' ' ' THR . 2.0 mm -56.13 -52.04 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.557 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -80.54 -32.23 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.859 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -74.17 -46.38 42.56 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.154 -0.219 . . . . 0.0 111.309 -177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.2 m -70.37 -31.05 68.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.706 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 1.1 mttm -64.36 -42.8 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.628 ' HE3' ' HE2' ' A' ' 28' ' ' MET . 64.1 t-105 -58.82 -43.08 90.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.239 176.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.86 -43.72 90.89 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 10.7 mmtt -65.22 -33.81 76.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.522 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.0 t -63.54 -45.68 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.527 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -61.76 -36.32 80.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.443 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -84.66 -5.1 59.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.463 -177.427 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.8 mt -93.71 -14.16 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.171 0.51 . . . . 0.0 110.362 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.495 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 79.1 t -58.12 -55.07 49.17 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.736 178.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 19.6 Cg_endo -58.73 -28.14 85.69 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.495 2.13 . . . . 0.0 113.262 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -67.08 -57.27 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.179 0.514 . . . . 0.0 110.264 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -68.08 -24.25 65.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.591 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -41.04 91.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.303 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -78.28 -41.25 34.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.046 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 124' ' ' GLU . . . -60.43 -40.79 92.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.349 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.636 HD22 HD13 ' A' ' 51' ' ' ILE . 15.3 mt -67.56 -51.05 55.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.168 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -59.92 -44.68 94.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.501 -177.213 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -40.19 95.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.875 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -71.88 -42.23 67.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.423 -178.799 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -25.45 64.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.766 0.317 . . . . 0.0 110.642 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.1 m -80.65 -13.85 58.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.992 0.425 . . . . 0.0 110.231 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -87.49 -2.06 58.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.997 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.612 ' HG3' HG13 ' A' ' 47' ' ' ILE . 8.2 mm-40 -103.58 -141.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.478 -179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.431 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 49.3 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.608 -175.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.551 0.215 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.57 -30.55 70.2 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.257 0.551 . . . . 0.0 110.439 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.438 HG21 HG12 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -99.66 -2.56 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.859 -179.031 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.42 -32.63 54.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.47 -34.59 75.71 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 170.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -66.19 -48.74 69.69 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.977 172.797 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -50.05 -38.07 36.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.974 175.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.647 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -59.46 -48.45 81.6 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.509 177.382 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.08 -30.02 69.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 0.0 110.125 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.6 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 5.1 t80 -67.32 -51.83 47.72 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.3 -25.44 66.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.467 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -29.78 55.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.033 0.444 . . . . 0.0 111.004 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.78 ' HB3' HD11 ' A' ' 71' ' ' ILE . 1.8 mtp85 -97.52 -32.65 11.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -70.88 -16.82 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.831 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -71.93 -57.42 3.99 Favored Pre-proline 0 CA--C 1.532 0.266 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.256 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.831 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 19.6 Cg_exo -66.51 -30.61 43.23 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 121.906 1.737 . . . . 0.0 111.321 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HE2' ' HB3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -66.64 -41.88 87.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.288 177.211 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.9 t-20 -74.4 -21.73 59.5 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.165 0.507 . . . . 0.0 110.284 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.69 -40.99 63.22 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -66.64 -50.75 61.96 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.192 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.498 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 8.8 mmt -50.87 -50.88 56.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.855 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.28 -44.5 83.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.955 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -71.58 -36.46 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.902 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.29 -45.06 57.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.82 0.343 . . . . 0.0 111.241 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.438 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 3.6 ttt -64.45 -33.49 76.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.132 0.491 . . . . 0.0 110.246 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.44 -46.64 47.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.984 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.85 -42.09 97.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mp -74.61 -21.33 59.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.399 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.2 OUTLIER -90.67 -32.56 16.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.167 0.508 . . . . 0.0 110.821 179.356 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.22 131.72 49.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.073 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.9 mmt -77.86 100.81 6.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.632 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -61.46 133.4 55.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.16 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 tp -108.39 133.74 52.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.137 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 47' ' ' ILE . 19.0 m -126.73 156.75 37.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -123.81 -51.19 1.82 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.612 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -111.94 174.34 5.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.95 -176.853 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.507 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -74.4 -26.57 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.456 -178.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.612 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 2.2 mp0 -58.51 -47.77 83.03 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.226 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 3.6 mt-10 -74.08 -29.66 61.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.303 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.605 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -66.11 -39.12 83.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.09 -40.69 82.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.199 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.67 -31.58 65.02 Favored Glycine 0 CA--C 1.509 -0.302 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -58.32 -43.31 88.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.861 -0.67 . . . . 0.0 110.397 173.594 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.605 HG12 ' O ' ' A' ' 47' ' ' ILE . 5.5 mm -64.74 -45.23 95.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.155 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -32.74 71.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.758 0.313 . . . . 0.0 111.188 -178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.34 -31.72 73.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.115 0.483 . . . . 0.0 110.916 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -85.13 -30.18 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.284 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.22 -51.3 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.691 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -69.64 -20.49 63.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -66.18 -38.53 88.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.877 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.615 ' HE3' HD12 ' A' ' 61' ' ' LEU . 9.9 mmmm -69.15 -14.5 63.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.078 176.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m -94.14 -27.69 16.09 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.615 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -22.66 38.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.613 176.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.6 mt -55.4 -59.29 11.53 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.979 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.58 -29.65 90.41 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.04 1.827 . . . . 0.0 112.494 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -71.36 -52.75 16.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.294 0.568 . . . . 0.0 110.151 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 68' ' ' ARG . . . -71.72 -32.65 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.391 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 26.6 t70 -62.27 -39.22 92.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.149 0.5 . . . . 0.0 110.753 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -72.34 -37.99 68.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.107 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -37.42 85.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.246 -175.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -62.88 -37.51 87.21 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.315 179.286 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.12 -35.44 64.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.88 0.372 . . . . 0.0 110.445 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.26 -22.9 61.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.561 . . . . 0.0 110.712 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.78 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -83.18 -36.84 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -66.41 -25.06 66.58 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.497 171.503 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -71.54 -45.3 62.73 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.892 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.6 mt -63.53 -39.14 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.769 0.795 . . . . 0.0 109.52 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.6 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -72.81 -14.59 61.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.108 -179.261 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -65.36 -45.49 83.96 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.212 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -79.19 -32.46 44.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.166 0.508 . . . . 0.0 110.131 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.11 1.69 42.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.821 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -122.11 -40.5 2.5 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 174.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -26.11 68.46 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.168 -174.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.438 HG12 HG21 ' A' ' 10' ' ' ILE . 1.9 pp -62.51 -42.84 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 121.178 0.513 . . . . 0.0 109.861 175.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.29 -39.88 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.175 -176.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.753 0.311 . . . . 0.0 111.273 -178.112 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.647 ' HE2' HD22 ' A' ' 15' ' ' LEU . 2.8 m-85 . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 121.084 0.469 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.838 HG23 HG13 ' A' ' 98' ' ' VAL . 0.8 OUTLIER -122.96 115.21 21.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.6 0.715 . . . . 0.0 110.121 -177.036 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.1 m -80.18 -29.64 38.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.171 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.838 HG13 HG23 ' A' ' 96' ' ' THR . 0.5 OUTLIER -48.44 128.45 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.87 177.088 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.614 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -104.78 163.38 17.32 Favored Pre-proline 0 N--CA 1.446 -0.671 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.333 -179.264 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.614 ' HD2' HG22 ' A' ' 99' ' ' THR . 11.1 Cg_endo -54.8 -39.55 89.25 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.879 2.386 . . . . 0.0 111.997 178.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -68.18 -40.94 82.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.191 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -56.6 -34.9 43.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.4 -36.28 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.59 -41.52 26.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.568 0.223 . . . . 0.0 111.407 -176.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.6 m -69.97 -33.45 72.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.688 0.28 . . . . 0.0 110.454 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.498 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -65.59 -43.42 89.74 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.218 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.491 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.4 t-105 -56.0 -45.92 78.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.107 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -34.2 71.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.475 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.3 mttm -80.72 -36.74 31.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.643 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.68 -44.1 99.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.532 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 5.0 mm-40 -57.81 -47.7 81.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.742 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 1.4 pt20 -71.63 -14.33 62.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.328 -177.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.3 mt -84.41 -19.28 33.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.029 0.442 . . . . 0.0 110.295 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.703 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 87.7 t -61.38 -54.81 49.32 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.989 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.703 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 38.5 Cg_exo -61.74 -36.97 71.37 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.278 1.985 . . . . 0.0 112.204 178.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' A' ' 112' ' ' GLN . 12.7 mttm -58.67 -50.6 73.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.341 0.591 . . . . 0.0 110.189 177.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -68.21 -34.26 75.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.597 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -63.94 -32.42 73.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.994 0.426 . . . . 0.0 110.549 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -86.74 -41.54 14.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.238 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.11 90.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.423 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 50' ' ' LEU . 31.0 mt -62.8 -50.58 70.44 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.446 178.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.495 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -58.38 -44.48 88.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.16 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.12 -46.49 89.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.602 0.239 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.403 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -70.87 -41.85 70.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.777 -177.262 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.495 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -69.05 -23.38 64.04 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.842 -178.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.6 m -86.81 -12.18 48.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 110.745 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -19.86 52.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 0.0 109.752 175.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -92.52 -145.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.974 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.36 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.222 0 CA-C-O 121.157 0.504 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.06 -41.28 64.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.683 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.465 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.8 pp -77.25 -16.59 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.294 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 20.5 t70 -80.39 -24.72 39.52 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.106 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -82.01 -13.93 56.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.359 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.465 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 1.4 pp -102.56 -2.54 28.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 168.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -64.49 -36.22 83.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.473 175.044 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.91 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -80.08 -17.62 52.17 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.412 -179.416 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.57 -43.01 91.14 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.394 172.085 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' CD1' HG21 ' A' ' 96' ' ' THR . 2.7 t80 -57.95 -49.44 76.78 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 171.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.741 ' HB2' ' HB ' ' A' ' 96' ' ' THR . . . -61.25 -30.13 70.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.907 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.39 -29.0 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.689 0.28 . . . . 0.0 111.119 -176.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 -95.82 -37.28 10.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.041 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -69.82 -19.05 63.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.246 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.491 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -69.24 -59.58 4.93 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.392 -176.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 45.1 Cg_endo -69.47 -25.23 30.16 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.226 1.284 . . . . 0.0 111.261 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.689 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.9 t80 -69.21 -41.2 77.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.347 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -68.68 -33.08 73.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.174 0.511 . . . . 0.0 110.062 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.06 -36.21 72.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.386 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -69.36 -49.17 58.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.063 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.636 ' HE1' HG13 ' A' ' 103' ' ' ILE . 17.0 mtm -60.14 -43.04 96.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.364 -176.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.47 -42.49 92.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.637 0.256 . . . . 0.0 110.579 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.5 m -66.81 -41.3 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.345 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 35' ' ' LEU . . . -65.12 -46.86 79.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.579 ' HE1' ' HG3' ' A' ' 106' ' ' LYS . 19.2 ttm -59.95 -35.41 74.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.803 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.54 -48.65 25.69 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.641 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.39 -31.79 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 -175.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 3.8 mp -77.04 -28.62 54.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.961 -178.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.9 OUTLIER -78.68 -39.26 37.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.056 -179.306 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -78.14 154.33 31.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.655 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.45 168.49 19.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.506 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -124.87 124.24 41.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.14 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -86.63 130.64 36.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.157 0.503 . . . . 0.0 109.701 175.075 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.451 HG12 HD23 ' A' ' 50' ' ' LEU . 28.7 m -126.45 149.19 31.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.394 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -111.65 -46.99 3.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.215 0.531 . . . . 0.0 110.169 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.527 ' HB ' ' HG3' ' A' ' 45' ' ' GLU . 1.2 p -134.33 170.33 15.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.682 -174.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.513 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.91 -33.72 53.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.953 0.406 . . . . 0.0 110.615 178.379 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.527 ' HG3' ' HB ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -50.59 -38.94 48.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.347 176.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.85 -32.69 27.35 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 120.908 0.385 . . . . 0.0 110.563 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.722 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -62.34 -41.91 93.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.171 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.04 -28.64 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.112 0.482 . . . . 0.0 110.094 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.17 -38.2 54.63 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -58.25 -46.19 86.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.693 -0.754 . . . . 0.0 110.955 174.65 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.722 HG12 ' O ' ' A' ' 47' ' ' ILE . 4.2 mm -64.37 -40.62 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.362 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.5 m -58.26 -35.52 71.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.981 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . -65.24 -19.11 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.005 0.431 . . . . 0.0 111.14 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.75 -29.82 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -64.86 -50.66 65.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.401 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -68.81 -24.64 64.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.878 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 31.9 t80 -69.95 -44.72 68.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.262 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.687 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.16 -20.06 62.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.569 175.013 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -92.76 -28.25 16.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.161 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -21.52 27.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.801 0.334 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.687 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.8 mt -54.34 -55.73 34.08 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.682 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.508 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 33.8 Cg_exo -58.27 -28.87 85.98 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.054 1.836 . . . . 0.0 112.433 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.54 -53.77 9.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.282 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.6 -29.92 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.103 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.482 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 30.4 t70 -63.03 -47.89 81.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.765 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -27.1 63.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.438 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.11 -41.28 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.689 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -63.12 -38.79 92.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.043 0.449 . . . . 0.0 110.181 177.29 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -42.28 94.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.935 175.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.71 -16.3 63.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.442 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -83.9 -39.04 14.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.53 -27.06 65.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.286 173.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.41 -33.94 77.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.525 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 71' ' ' ILE . 20.8 mt -71.85 -41.81 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.006 175.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -14.75 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.432 -177.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -40.23 90.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.567 0.222 . . . . 0.0 110.627 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.434 ' HA ' ' HG2' ' A' ' 80' ' ' ARG . 61.2 mm-40 -81.04 -33.84 33.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 110.447 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.49 -6.14 59.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.845 -174.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.61 -37.17 5.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.211 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 12.8 ptt85 -60.21 -35.22 74.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.912 -178.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 2.2 pp -63.41 -35.48 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.295 0.569 . . . . 0.0 110.14 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.72 49.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.66 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.81 -179.684 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.467 ' CE2' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.954 0.407 . . . . 0.0 110.232 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.741 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -119.59 134.83 55.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.399 -176.379 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 m -103.68 -27.53 12.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.461 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.461 HG21 ' HB1' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -43.83 105.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 114.456 -1.247 . . . . 0.0 112.878 -179.642 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.842 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -82.89 161.15 59.12 Favored Pre-proline 0 N--CA 1.448 -0.543 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.925 177.443 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.842 ' HD2' HG22 ' A' ' 99' ' ' THR . 10.2 Cg_endo -51.43 -42.29 55.8 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.844 2.363 . . . . 0.0 112.535 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -69.4 -34.26 74.23 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.511 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.1 -44.74 84.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.636 HG13 ' HE1' ' A' ' 28' ' ' MET . 0.3 OUTLIER -75.49 -32.5 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.11 -178.553 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -72.25 -49.9 31.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.393 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.1 m -58.12 -34.91 70.73 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.983 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.601 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -63.68 -48.57 76.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.349 177.554 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.482 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 71.9 t-105 -59.82 -41.84 92.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.568 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -38.24 85.73 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.38 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -41.02 91.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.718 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.07 -43.26 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.619 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -59.84 -45.85 91.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.797 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.0 -1.34 28.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.286 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 9.2 mt -100.52 -14.74 18.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.988 0.423 . . . . 0.0 110.349 176.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.785 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 98.6 t -60.71 -58.31 20.19 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.607 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.785 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 24.8 Cg_exo -64.29 -36.2 47.1 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.324 2.016 . . . . 0.0 112.28 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -47.95 83.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.127 0.489 . . . . 0.0 110.426 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.412 HH12 HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -72.17 -31.27 65.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.046 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -67.36 -32.27 73.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.156 0.503 . . . . 0.0 109.807 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.482 ' O ' ' HG2' ' A' ' 123' ' ' GLU . 1.0 OUTLIER -68.45 -50.13 54.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.268 -178.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 124' ' ' GLU . . . -61.02 -36.67 80.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.702 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 51' ' ' ILE . 23.6 mt -68.29 -47.8 66.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.242 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.6 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 14.8 mt -66.37 -41.95 88.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.866 -175.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 119' ' ' HIS . 18.0 pt-20 -74.54 -23.13 58.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.731 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -78.75 -44.46 23.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.664 0.269 . . . . 0.0 110.331 176.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.6 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.4 OUTLIER -67.23 -24.95 65.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.646 179.211 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 64.6 m -80.1 -21.47 43.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -5.9 58.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.482 0.658 . . . . 0.0 109.963 175.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.633 ' HG3' HG13 ' A' ' 47' ' ' ILE . 19.0 mm-40 -100.78 -152.74 0.43 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.683 175.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.045 -0.979 . . . . 0.0 109.577 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.235 0.308 0 CA-C-O 120.999 0.428 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.69 -41.01 75.99 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.188 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.478 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.5 pp -76.23 -16.55 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.968 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.1 t0 -75.42 -25.11 57.26 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -72.86 -39.07 66.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.235 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -83.18 -6.51 59.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.009 0.433 . . . . 0.0 110.167 175.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.666 ' CD2' ' HB1' ' A' ' 78' ' ' ALA . 1.0 OUTLIER -63.77 -25.68 68.29 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 172.148 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.9 OUTLIER -65.24 -32.27 73.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -65.06 -34.47 78.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.933 0.397 . . . . 0.0 110.395 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' CE1' HG23 ' A' ' 98' ' ' VAL . 1.2 t80 -64.7 -48.14 75.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 175.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.46 -17.58 62.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.785 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 -27.69 17.68 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -102.53 -33.94 9.3 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.882 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -74.83 -16.98 60.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.725 0.297 . . . . 0.0 110.214 177.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.65 -58.78 9.2 Favored Pre-proline 0 CA--C 1.53 0.21 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 26' ' ' ASN . 37.7 Cg_endo -65.8 -27.65 51.71 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.515 1.477 . . . . 0.0 111.48 177.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.22 -44.84 86.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.176 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -75.11 -21.2 59.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.48 0.657 . . . . 0.0 110.156 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.452 ' HB2' ' HA ' ' A' ' 23' ' ' PRO . 2.5 m-80 -71.32 -44.34 65.31 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -63.24 -48.21 79.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.988 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mtt -49.57 -54.27 19.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.603 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -66.35 -47.09 74.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.66 -175.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 m -66.74 -26.79 67.16 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.362 -176.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.8 -49.6 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.633 0.254 . . . . 0.0 111.62 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -35.4 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.181 -176.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -73.7 -34.18 64.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.315 -178.825 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.82 -38.96 83.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.316 0.579 . . . . 0.0 109.516 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.473 HD23 ' HB3' ' A' ' 113' ' ' LEU . 4.3 mp -71.14 -32.47 69.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.69 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -36.88 55.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.158 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -70.61 167.23 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.248 -178.469 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.48 137.41 35.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.218 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -101.18 130.07 47.21 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.267 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 tp -99.88 129.0 51.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.935 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.539 HG12 HD23 ' A' ' 50' ' ' LEU . 34.9 m -126.67 137.98 56.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.238 0.542 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -117.73 -41.11 2.95 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.064 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.463 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 10.7 p -122.66 164.87 17.45 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.556 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.495 HG23 ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -66.79 -30.37 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.377 179.147 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.495 ' OE2' HG23 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -48.82 -47.65 42.16 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.746 176.658 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.57 -33.63 66.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.626 0.25 . . . . 0.0 110.691 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.462 ' HA ' HD13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.42 -35.2 74.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.327 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.88 -33.55 74.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.172 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.14 -46.33 5.63 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.696 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD23 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -51.27 -46.06 62.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.049 0.54 . . . . 0.0 111.434 176.868 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.608 HG12 ' HB3' ' A' ' 121' ' ' LEU . 31.1 mt -74.05 -32.1 31.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.215 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' A' ' 55' ' ' ASP . 17.2 m -64.12 -24.1 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.049 0.452 . . . . 0.0 110.729 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.52 0.48 14.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.67 0.748 . . . . 0.0 110.678 175.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -114.45 -36.63 4.55 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 171.036 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' HB3' ' HA ' ' A' ' 52' ' ' SER . 13.1 t0 -48.46 -59.47 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.659 173.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -87.92 2.28 51.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.417 ' HB2' ' HA ' ' A' ' 54' ' ' HIS . 7.4 t80 -74.54 -34.97 63.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.58 ' HE2' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -64.96 -20.28 66.4 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.772 174.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.97 -32.69 16.68 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.866 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.3 -28.69 57.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.012 0.434 . . . . 0.0 111.418 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.58 HD12 ' HE2' ' A' ' 58' ' ' LYS . 3.7 mt -60.3 -53.82 61.11 Favored Pre-proline 0 C--O 1.22 -0.465 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 13.2 Cg_endo -56.98 -36.17 99.16 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.996 1.797 . . . . 0.0 112.529 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -73.99 -47.48 36.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.177 -179.239 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 67' ' ' GLU . . . -67.61 -29.54 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -41.94 95.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.977 0.418 . . . . 0.0 110.186 176.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 64' ' ' ALA . 70.8 mm-40 -58.96 -45.24 91.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.282 176.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -26.6 68.41 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.769 0.319 . . . . 0.0 110.739 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.21 -40.53 19.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.953 0.406 . . . . 0.0 110.529 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.59 -20.4 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.108 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.533 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -86.96 -34.43 7.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -179.552 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -65.76 -29.41 69.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.01 171.609 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.401 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -65.97 -38.26 88.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 71' ' ' ILE . 12.7 mt -66.2 -41.36 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.397 0.618 . . . . 0.0 110.092 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.672 ' HA ' ' HB3' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -78.03 -5.8 52.53 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.143 -177.673 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 72' ' ' LEU . 3.5 mmmt -59.96 -55.68 31.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.25 -28.73 42.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.74 0.781 . . . . 0.0 109.516 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.672 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -82.59 -1.25 50.27 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.228 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -124.33 -44.74 1.99 Allowed 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 120.378 -0.529 . . . . 0.0 112.166 177.04 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.905 ' HA ' ' HG3' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -53.88 -29.22 40.72 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.862 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.6 pp -56.9 -42.97 79.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.473 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.61 -16.62 44.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.453 0.644 . . . . 0.0 110.419 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.905 ' HG3' ' HA ' ' A' ' 80' ' ' ARG . 1.4 mt-10 . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.541 175.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.561 ' CD2' HD13 ' A' ' 15' ' ' LEU . 11.5 m-85 . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 121.026 0.441 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.6 t -116.02 134.24 55.17 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.944 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.5 m -77.51 -25.86 50.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.502 -173.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.419 HG21 ' HB1' ' A' ' 21' ' ' ALA . 15.1 m -54.06 112.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.399 0.619 . . . . 0.0 112.319 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 100' ' ' PRO . 16.1 p -94.82 160.26 31.58 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.992 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 10.5 Cg_endo -54.19 -36.57 86.2 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.011 2.474 . . . . 0.0 112.312 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -75.84 -41.07 53.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.687 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -61.7 -40.59 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.317 . . . . 0.0 110.278 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -76.67 -31.87 20.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.403 -178.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.4 t-20 -76.74 -50.17 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.063 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -60.38 -40.01 89.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.402 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 2.8 mmtt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.908 0.385 . . . . 0.0 110.329 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -59.44 -42.63 92.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.27 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -58.75 -35.55 72.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.319 0.58 . . . . 0.0 110.899 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.57 -39.79 62.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.317 179.424 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 106' ' ' LYS . 73.9 t -55.84 -45.01 79.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.598 174.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -40.51 94.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.281 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 4.5 pt20 -72.98 -25.29 60.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.918 0.389 . . . . 0.0 111.245 -177.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.473 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.5 mt -75.92 -18.88 59.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.733 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.891 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 57.6 t -61.23 -61.51 7.79 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.016 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.891 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 29.2 Cg_exo -62.84 -26.6 74.75 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.438 2.092 . . . . 0.0 112.233 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.45 -56.14 14.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.472 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.74 -30.57 68.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.466 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 114' ' ' VAL . 0.4 OUTLIER -57.38 -38.26 73.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.203 0.525 . . . . 0.0 110.457 177.691 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -76.68 -32.13 57.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.581 -175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.12 -40.41 71.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.196 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.608 ' HB3' HG12 ' A' ' 51' ' ' ILE . 16.2 mt -67.32 -45.42 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.787 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 1.7 mm? -72.91 -14.06 61.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.478 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -24.71 20.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.024 0.44 . . . . 0.0 110.371 175.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -88.65 -46.01 9.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.184 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.443 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -61.76 -26.8 68.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.51 -177.163 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -12.15 61.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.592 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -89.81 -4.28 57.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.144 0.497 . . . . 0.0 110.591 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -95.03 -133.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.454 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.609 -178.505 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.917 0.389 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.75 69.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.678 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.613 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.2 pp -83.23 -15.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.259 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 3.2 t0 -79.34 -27.11 42.05 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.67 -34.97 70.15 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.489 174.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.613 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 1.5 pp -88.06 -8.76 55.05 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.05 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.7 OUTLIER -61.3 -29.87 70.14 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 170.78 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.626 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.6 OUTLIER -64.08 -37.13 86.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.6 175.191 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.14 -34.51 77.77 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 120.964 0.412 . . . . 0.0 110.289 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.6 -48.49 72.14 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.611 ' HA ' HG21 ' A' ' 96' ' ' THR . . . -69.39 -22.0 63.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.589 -178.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -38.08 56.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.613 0.244 . . . . 0.0 111.07 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.62 ' HB3' HD11 ' A' ' 71' ' ' ILE . 8.1 mtt85 -89.88 -36.2 15.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.597 -177.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.719 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -68.75 -17.79 64.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.931 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -69.0 -56.78 8.47 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.356 -177.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 17.0 Cg_exo -66.39 -28.93 46.18 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.951 1.767 . . . . 0.0 111.47 176.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -42.01 86.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.337 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 2.1 t-20 -68.38 -31.31 70.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.569 0.699 . . . . 0.0 110.024 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.77 -22.75 53.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.233 -178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -87.64 -52.03 5.55 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.091 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.471 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -57.74 -46.01 85.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.857 -176.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -41.59 97.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.607 0.241 . . . . 0.0 111.407 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -77.45 -25.14 50.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.002 0.429 . . . . 0.0 110.846 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' O ' HD13 ' A' ' 35' ' ' LEU . . . -83.49 -48.12 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.406 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.528 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -64.09 -29.84 70.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.837 -177.808 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -39.59 74.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.7 -40.36 95.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.371 0.605 . . . . 0.0 110.213 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.728 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 8.3 mp -74.72 -23.35 58.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.962 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -91.89 -32.52 15.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.961 -178.342 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -76.77 176.15 8.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.456 0.646 . . . . 0.0 111.931 -174.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.9 tpt -109.12 142.02 40.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.479 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -113.66 127.52 56.08 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.573 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 40' ' ' ILE . 6.5 tp -105.52 120.83 56.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.856 0.836 . . . . 0.0 110.099 173.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.58 HG11 HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.61 96.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.695 -178.316 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -86.81 -32.58 20.24 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.91 143.97 39.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.191 -174.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -35.83 74.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -176.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -34.23 59.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.588 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -79.78 -37.19 35.85 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.454 HD11 HG21 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -59.99 -36.79 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.831 0.348 . . . . 0.0 110.441 -177.81 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -81.96 6.83 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.313 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -123.48 -35.0 0.72 Allowed Glycine 0 N--CA 1.455 -0.086 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.58 HD12 HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -67.69 -49.1 64.45 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.437 1.095 . . . . 0.0 110.47 178.518 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.668 HD11 ' HB3' ' A' ' 125' ' ' GLN . 29.0 mt -63.39 -40.96 91.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -31.1 69.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.396 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.28 -25.7 66.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.074 0.464 . . . . 0.0 110.717 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -97.7 -13.69 21.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.36 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -78.77 -48.55 14.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.713 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.53 -13.32 58.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.257 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -59.89 -37.63 79.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.449 175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -73.42 -13.59 61.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.62 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.01 -33.85 15.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.698 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.1 -22.81 41.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.145 176.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.8 -60.86 6.21 Favored Pre-proline 0 N--CA 1.467 0.387 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.16 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.01 -30.04 90.67 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.006 1.804 . . . . 0.0 112.515 -176.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.4 -50.37 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.347 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.27 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.519 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.46 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 1.8 t70 -61.3 -47.62 85.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.349 177.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -37.19 84.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.371 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.24 -35.9 80.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.545 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.421 ' HD2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -57.06 -43.34 81.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 178.798 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -29.74 57.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.859 0.361 . . . . 0.0 110.481 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.96 -9.8 59.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.146 0.498 . . . . 0.0 110.814 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.62 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -94.2 -39.09 10.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.019 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -65.65 -30.91 71.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.942 -1.027 . . . . 0.0 109.454 174.614 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.38 87.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.926 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 71' ' ' ILE . 33.4 mt -65.58 -42.12 92.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.28 0.562 . . . . 0.0 110.409 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.692 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -73.19 -16.07 61.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.932 -178.277 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -48.31 82.12 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -78.1 -30.15 49.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.974 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -87.14 -0.37 56.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.443 -175.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.539 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -116.68 -42.99 2.93 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.732 177.574 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -56.57 -32.61 65.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.635 -176.173 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.45 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 2.3 pp -61.31 -34.35 60.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.979 0.419 . . . . 0.0 110.923 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.41 -30.53 33.54 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.941 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 61.9 mt-10 . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.358 -176.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.626 ' HE2' HD22 ' A' ' 15' ' ' LEU . 19.9 m-30 . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 121.002 0.43 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.611 HG21 ' HA ' ' A' ' 18' ' ' ALA . 11.9 t -122.95 127.76 49.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 m -84.26 71.25 10.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.362 0.601 . . . . 0.0 111.666 -174.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.719 HG21 ' HB1' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -134.99 82.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.849 178.287 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.732 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.2 OUTLIER -64.04 148.24 95.5 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.732 ' HD2' HG22 ' A' ' 99' ' ' THR . 1.3 Cg_endo -44.38 -44.87 13.02 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.467 2.778 . . . . 0.0 112.521 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -63.29 -45.26 92.2 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.092 0.472 . . . . 0.0 110.65 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.571 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -61.25 -40.56 86.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.967 -177.465 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.455 ' O ' ' HE1' ' A' ' 28' ' ' MET . 0.5 OUTLIER -82.83 -32.29 9.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.348 -179.071 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 6.4 t-20 -73.03 -51.58 17.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.631 0.253 . . . . 0.0 110.438 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.2 m -66.18 -27.31 67.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.072 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -66.27 -47.0 75.12 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 174.168 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.46 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 57.0 t-105 -60.16 -42.27 94.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.985 175.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.4 -38.61 90.32 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.829 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -68.05 -39.72 82.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.972 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.633 ' O ' HG23 ' A' ' 114' ' ' VAL . 25.5 t -57.99 -47.61 86.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.365 176.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.14 -33.71 67.66 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.145 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -20.57 40.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.77 0.319 . . . . 0.0 111.26 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.728 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 12.6 mt -89.26 -26.05 21.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.919 -177.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.727 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 21.6 t -55.55 -57.55 20.35 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.727 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 32.2 Cg_exo -59.75 -31.99 94.93 Favored 'Trans proline' 0 C--N 1.358 1.076 0 C-N-CA 122.712 2.275 . . . . 0.0 112.775 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -60.34 -51.35 69.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.214 0.53 . . . . 0.0 110.049 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -75.06 -33.7 61.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.768 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -34.08 75.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.8 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -83.01 -41.09 19.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.185 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.48 91.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.962 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.514 HD22 HG12 ' A' ' 51' ' ' ILE . 34.4 mt -67.79 -49.62 61.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.53 11.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.512 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -113.11 -40.38 3.95 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.33 -35.19 71.12 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.181 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.668 ' HB3' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -69.07 -30.7 69.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.269 178.358 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.485 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -76.66 -28.56 56.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.347 0.594 . . . . 0.0 110.286 177.852 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.24 6.97 27.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.21 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.459 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 1.3 mm-40 -95.6 -133.76 0.2 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.196 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.459 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.434 -178.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 11' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.739 0.304 . . . . 0.0 111.339 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.55 81.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.403 0.62 . . . . 0.0 109.637 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.708 HG21 HG12 ' A' ' 81' ' ' ILE . 1.1 pt -96.62 -3.2 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.57 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 2.6 t0 -76.72 -26.86 55.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.399 174.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.56 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 43.6 mm-40 -71.82 -21.07 61.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.693 172.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 77' ' ' GLU . 80.9 mt -77.9 -41.86 35.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 170.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -57.95 -32.23 67.62 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.416 172.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.594 HD23 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -60.69 -49.32 77.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.253 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.09 -28.29 62.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.13 0.49 . . . . 0.0 110.164 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -49.92 53.27 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 96' ' ' THR . . . -72.74 -15.35 61.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.141 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -40.72 37.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.678 176.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.686 ' HB3' HD11 ' A' ' 71' ' ' ILE . 2.8 mtt180 -88.85 -32.84 17.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.161 -178.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.23 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.921 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.91 -59.96 6.95 Favored Pre-proline 0 CA--C 1.536 0.42 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.988 -174.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.525 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 52.7 Cg_endo -71.51 -24.57 22.13 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.385 1.39 . . . . 0.0 111.747 178.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.598 ' O ' ' HG2' ' A' ' 28' ' ' MET . 1.6 t80 -65.92 -45.76 80.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.889 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.56 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 21.1 t30 -68.65 -27.27 65.85 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.267 0.556 . . . . 0.0 110.213 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -75.02 -37.3 61.82 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.697 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -65.86 -56.69 10.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.779 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.598 ' HG2' ' O ' ' A' ' 24' ' ' PHE . 7.8 ptp -65.52 -31.37 72.4 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.267 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -69.46 -32.4 71.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 111.049 -179.516 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -87.72 -42.63 12.49 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.596 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -48.41 39.45 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.458 ' HG3' HG22 ' A' ' 110' ' ' VAL . 3.2 ttm -66.34 -35.83 81.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.31 -177.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 2.9 mt-10 -63.71 -37.01 85.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.465 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -69.61 -39.95 76.93 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.77 -36.74 79.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.796 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -88.44 -9.58 52.06 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -88.89 172.63 9.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.087 0.47 . . . . 0.0 110.859 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.74 106.05 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.288 0.566 . . . . 0.0 110.299 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -63.78 147.21 52.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.534 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 tp -118.31 134.04 63.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.737 173.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.761 HG21 HG12 ' A' ' 47' ' ' ILE . 6.2 m -126.04 163.69 27.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.891 0.377 . . . . 0.0 110.744 -176.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -123.42 -44.93 2.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.433 0.635 . . . . 0.0 109.587 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -119.47 161.51 20.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.69 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.46 HD13 ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -63.77 -30.95 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.771 -179.727 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.33 -46.29 79.98 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.379 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.48 -33.62 69.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 0.0 110.302 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.761 HG12 HG21 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -65.83 -34.61 71.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 -179.541 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HG3' HD13 ' A' ' 44' ' ' ILE . 3.6 mm-40 -81.87 -31.76 31.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.092 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.9 -32.9 78.29 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 176.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -39.71 89.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.993 -0.604 . . . . 0.0 110.299 173.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 47' ' ' ILE . 4.8 mm -65.76 -45.96 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.307 175.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -58.59 -35.2 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.034 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . -64.43 -28.5 69.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.96 177.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -87.16 -32.68 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.19 176.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.88 -56.5 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.323 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -68.84 -18.27 64.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.558 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 40.7 t80 -64.16 -39.56 94.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.037 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -70.32 -15.24 62.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.468 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -91.11 -29.97 16.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.818 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.63 -21.07 45.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.037 0.446 . . . . 0.0 110.703 175.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -57.25 -54.77 51.22 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.656 -176.081 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 9.5 Cg_endo -52.69 -37.54 75.44 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.429 2.086 . . . . 0.0 113.034 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -80.08 -45.91 17.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.643 0.259 . . . . 0.0 110.799 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.853 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . . . -65.33 -27.62 68.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.471 . . . . 0.0 110.681 178.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.88 -32.22 73.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.844 174.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -36.19 64.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.086 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.853 ' HG3' ' HA ' ' A' ' 64' ' ' ALA . 4.7 mm-40 -53.74 -54.98 30.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.454 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.509 ' HB3' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -58.14 -39.91 79.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.54 0.209 . . . . 0.0 111.354 -177.451 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -68.12 -44.62 75.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.079 0.466 . . . . 0.0 110.251 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.27 -2.19 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.3 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -100.78 -39.32 6.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.777 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -33.25 74.78 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.774 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.06 74.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.646 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.9 mt -68.98 -40.91 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.586 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.46 ' NE2' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -69.9 -18.31 63.39 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.889 -177.691 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -61.21 -42.9 99.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.99 0.424 . . . . 0.0 110.702 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.661 ' HA ' ' HG2' ' A' ' 80' ' ' ARG . 6.5 tt0 -83.23 -29.97 28.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.631 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.43 1.21 49.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.485 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 1.2 tp60 -114.83 -34.33 5.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.099 175.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.661 ' HG2' ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -57.56 -33.25 67.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.387 0.429 . . . . 0.0 111.111 -175.74 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.708 HG12 HG21 ' A' ' 10' ' ' ILE . 2.2 pp -63.35 -36.01 74.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 110.6 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.34 -22.71 35.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.197 0.522 . . . . 0.0 110.715 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 31.4 mm-40 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.91 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.594 ' CE2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.517 -0.293 0 CA-C-O 121.342 0.591 . . . . 0.0 110.67 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -90.4 72.38 7.02 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.764 -172.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -88.89 48.52 1.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.193 0.997 . . . . 0.0 110.68 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.31 101.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.247 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.734 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -71.58 150.42 93.59 Favored Pre-proline 0 N--CA 1.448 -0.56 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.734 ' HD2' HG22 ' A' ' 99' ' ' THR . 73.2 Cg_endo -74.04 18.6 0.45 Allowed 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.598 2.199 . . . . 0.0 113.193 -176.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.01 -53.63 1.63 Allowed 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -177.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -43.14 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.35 175.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 tt -71.98 -33.6 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.162 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.26 -42.86 29.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.4 m -59.76 -41.21 90.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.651 173.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -37.46 87.48 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.971 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -62.13 -42.55 99.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.279 175.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.86 -34.49 77.47 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.575 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -42.99 96.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.025 175.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 114' ' ' VAL . 77.1 t -59.95 -45.8 94.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.219 177.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -56.57 -45.59 81.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.864 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -79.62 -17.1 54.57 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -174.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.52 -14.13 38.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.744 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 77.4 t -59.76 -57.13 29.09 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.42 178.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.744 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 32.2 Cg_exo -60.35 -34.75 93.17 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.599 2.199 . . . . 0.0 112.744 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -61.16 -54.35 45.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.111 0.482 . . . . 0.0 110.419 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.506 ' HE ' HD11 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -67.62 -28.84 68.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.544 178.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.93 -32.4 73.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -83.01 -40.66 19.67 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.22 87.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.415 0.447 . . . . 0.0 110.499 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.506 HD11 ' HE ' ' A' ' 117' ' ' ARG . 18.0 mt -63.89 -50.85 67.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.717 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.7 OUTLIER -78.28 9.98 3.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.759 -176.246 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.4 ' HG3' ' HZ2' ' A' ' 127' ' ' LYS . 4.6 tp10 -109.1 -36.46 6.06 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.173 0.511 . . . . 0.0 109.778 173.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -33.64 16.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.655 -176.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.667 ' HB2' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.18 -29.03 67.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.12 0.486 . . . . 0.0 110.475 -178.87 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.473 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -81.21 -8.88 59.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.497 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.4 ' HZ2' ' HG3' ' A' ' 123' ' ' GLU . 4.5 mttt -93.31 -5.24 50.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.029 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.476 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 1.5 mm-40 -87.29 -135.15 0.08 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.304 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.476 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.966 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.634 0.254 . . . . 0.0 111.048 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.89 -34.84 76.08 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.304 0.573 . . . . 0.0 109.912 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.552 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -81.37 -15.57 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.558 -179.639 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 9.7 t70 -78.51 -24.13 45.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.527 171.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 7.8 mm100 -73.5 -35.25 65.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.709 175.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.552 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 0.6 OUTLIER -85.97 -10.63 54.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.012 174.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.7 OUTLIER -59.56 -34.0 72.13 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 169.036 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.656 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -63.2 -36.37 83.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.973 177.273 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.0 -34.16 77.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.396 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.543 ' CD1' HG21 ' A' ' 96' ' ' THR . 1.6 t80 -66.18 -44.19 84.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 175.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -77.05 -4.39 44.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.866 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.63 -17.91 14.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.04 0.448 . . . . 0.0 111.075 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.476 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -105.09 -41.57 5.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.664 179.21 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -72.3 -13.32 61.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.796 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -74.44 -54.85 2.98 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.584 -176.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 16.2 Cg_exo -67.01 -29.02 41.1 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.61 1.54 . . . . 0.0 110.773 174.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.552 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.4 t80 -65.13 -44.98 86.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.408 177.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -70.74 -27.64 64.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.408 0.623 . . . . 0.0 109.787 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.63 -39.0 77.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.937 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -68.17 -50.07 56.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.315 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.552 ' HG3' ' O ' ' A' ' 24' ' ' PHE . 6.3 mtt -50.26 -45.54 54.34 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.682 0.614 . . . . 0.0 111.581 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -62.56 -56.7 15.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.697 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -63.37 -33.16 74.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.683 -175.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . -73.12 -53.65 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 110.997 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.407 ' HE2' ' HB2' ' A' ' 109' ' ' LYS . 9.9 ttm -64.48 -31.9 73.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.144 -177.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.6 -38.63 80.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.53 -32.25 69.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.48 0.657 . . . . 0.0 110.007 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -77.18 -29.18 54.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.996 -177.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.39 -37.7 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.795 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -85.34 176.07 8.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.382 0.611 . . . . 0.0 111.81 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -101.43 160.35 14.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.444 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -119.43 123.77 44.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.758 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.4 tp -87.98 129.83 38.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.241 0.543 . . . . 0.0 110.304 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.513 HG12 HD23 ' A' ' 50' ' ' LEU . 11.1 m -126.74 160.14 35.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.43 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -119.4 -48.25 2.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.7 p -125.15 173.8 8.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.233 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.786 HG22 ' HB3' ' A' ' 128' ' ' GLN . 0.5 OUTLIER -69.21 -23.22 26.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.847 179.427 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.501 ' N ' HG13 ' A' ' 44' ' ' ILE . 13.3 mt-10 -60.36 -38.69 84.65 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.806 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.18 -18.74 33.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.524 ' HB ' ' HA ' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -63.67 -45.53 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.755 176.63 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -74.51 -25.53 59.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.332 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.08 -40.57 56.29 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.513 HD23 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -64.15 -41.93 96.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.148 0.499 . . . . 0.0 110.311 176.019 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.486 HG12 HD22 ' A' ' 121' ' ' LEU . 29.7 mt -67.33 -33.33 61.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.723 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.5 m -61.63 -29.18 69.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.681 175.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.62 -15.63 63.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.269 0.557 . . . . 0.0 110.831 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.51 ' CE1' HG13 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -101.38 -13.08 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.484 174.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -84.36 -45.49 12.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.17 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -22.52 67.01 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.521 0.677 . . . . 0.0 109.483 172.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 67.7 t80 -62.38 -33.94 75.73 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.968 175.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.667 ' HE3' HD12 ' A' ' 61' ' ' LEU . 8.3 mmmm -79.39 -6.62 57.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.547 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -94.05 -33.13 13.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.833 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -39.68 56.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.667 HD12 ' HE3' ' A' ' 58' ' ' LYS . 2.5 mt -47.21 -55.75 14.71 Favored Pre-proline 0 N--CA 1.47 0.531 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -175.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.4 Cg_endo -52.71 -38.48 77.06 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.474 2.116 . . . . 0.0 112.997 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.62 -28.93 17.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.884 0.374 . . . . 0.0 110.737 -176.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.68 -37.48 76.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.219 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 4.9 t70 -64.32 -44.47 91.47 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 174.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -41.11 89.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.117 176.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -51.51 62.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.016 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -61.52 -35.86 78.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.727 0.298 . . . . 0.0 110.981 -178.743 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -71.81 -37.28 70.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 0.0 110.383 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.66 -14.26 59.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.9 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.476 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -87.8 -37.7 11.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.361 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -66.5 -27.98 68.21 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.239 171.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.1 -40.43 82.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.777 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.3 mt -66.87 -43.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.335 0.588 . . . . 0.0 110.271 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.415 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -68.59 -21.38 64.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.71 179.56 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -66.51 -36.08 81.83 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.497 0.665 . . . . 0.0 109.612 175.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.521 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -78.24 -26.52 47.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.088 178.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -102.04 -2.54 29.34 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -43.66 3.64 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.794 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.19 -21.41 65.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.152 -171.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.463 HG21 HG21 ' A' ' 10' ' ' ILE . 2.4 pp -66.16 -33.46 63.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.259 0.552 . . . . 0.0 110.066 176.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.57 -32.47 23.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.02 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.049 179.312 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.656 ' CD2' HD13 ' A' ' 15' ' ' LEU . 20.5 m-30 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 121.158 0.504 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 98' ' ' VAL . 1.5 t -110.63 120.46 42.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.886 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.8 m -55.86 -41.72 74.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -176.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.546 HG22 ' OG1' ' A' ' 96' ' ' THR . 9.3 m -52.79 122.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.904 0.859 . . . . 0.0 113.223 -174.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.547 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -91.56 154.76 44.23 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.902 167.308 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.573 ' HB3' HD21 ' A' ' 72' ' ' LEU . 86.8 Cg_exo -49.15 -40.77 42.16 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.987 2.458 . . . . 0.0 112.984 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -69.16 -39.06 79.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.852 0.358 . . . . 0.0 110.576 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.542 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -63.78 -46.62 93.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.18 178.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -33.5 46.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.551 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 t-20 -72.61 -51.04 21.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 110.6 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.2 m -61.63 -35.96 79.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.1 OUTLIER -59.92 -44.28 94.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.598 0.237 . . . . 0.0 110.498 178.484 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -60.88 -41.77 96.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.297 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -63.51 -39.37 94.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 14.1 mmtt -70.5 -36.42 73.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.382 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 114' ' ' VAL . 2.8 t -62.56 -48.54 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -61.97 -40.44 95.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 6.2 pt20 -75.59 -22.39 56.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.892 -175.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -86.62 -10.19 54.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.328 0.585 . . . . 0.0 110.579 178.329 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 110' ' ' VAL . 4.7 t -68.61 -51.33 22.43 Favored Pre-proline 0 N--CA 1.448 -0.528 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.321 -176.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 37.3 Cg_endo -65.89 -23.4 54.86 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 122.121 1.881 . . . . 0.0 112.107 178.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -70.5 -49.7 45.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.716 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -65.25 -36.86 85.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.216 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.401 ' HA ' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -58.37 -35.97 72.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.531 175.475 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -73.99 -41.1 62.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.541 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.82 90.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.41 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.486 HD22 HG12 ' A' ' 51' ' ' ILE . 9.1 mt -66.48 -43.63 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.871 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 125' ' ' GLN . 0.4 OUTLIER -69.7 -36.06 75.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.62 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -45.64 68.52 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.2 177.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.673 ' HA ' ' HG3' ' A' ' 127' ' ' LYS . 0.5 OUTLIER -69.17 -34.51 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.736 -177.448 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 122' ' ' LEU . 13.1 pt20 -66.05 -33.53 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.5 m -78.34 -9.54 59.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.452 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.673 ' HG3' ' HA ' ' A' ' 124' ' ' GLU . 1.5 mmmm -80.55 -14.14 58.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.226 0.536 . . . . 0.0 109.596 170.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.786 ' HB3' HG22 ' A' ' 44' ' ' ILE . 43.7 mm-40 -100.16 -153.48 0.45 Allowed 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.525 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.691 -0.671 . . . . 0.0 110.106 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.195 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.82 75.58 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.367 0.603 . . . . 0.0 109.651 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.54 ' HB ' ' HA ' ' A' ' 78' ' ' ALA . 1.0 OUTLIER -85.29 -10.9 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.813 179.102 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 0.8 OUTLIER -72.0 -27.82 62.99 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 173.382 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -68.03 -33.17 74.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.383 173.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' A' ' 77' ' ' GLU . 14.4 mt -74.19 -32.47 63.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.519 173.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.476 ' CD2' ' HB1' ' A' ' 78' ' ' ALA . 27.7 m170 -59.82 -37.11 78.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.617 174.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.676 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -58.25 -47.49 83.42 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.997 174.702 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -61.87 -34.54 76.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.969 0.414 . . . . 0.0 110.541 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CE1' HG23 ' A' ' 98' ' ' VAL . 2.4 t80 -65.2 -44.27 88.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.595 ' HA ' HG21 ' A' ' 96' ' ' THR . . . -72.52 -15.7 61.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.47 -179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -22.04 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.773 0.321 . . . . 0.0 111.437 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -106.1 -36.79 6.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.238 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.55 -20.67 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.785 0.326 . . . . 0.0 110.556 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -72.53 -57.65 3.31 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.868 -175.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.409 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 38.5 Cg_endo -67.86 -24.42 40.16 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.592 1.528 . . . . 0.0 111.422 177.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.549 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -70.34 -42.6 71.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.007 175.755 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -64.83 -34.08 77.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 109.53 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -69.61 -36.95 76.65 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.649 -1.159 . . . . 0.0 109.642 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -70.96 -51.24 26.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.061 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 43.4 mtt -53.24 -47.51 68.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.606 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -45.31 83.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.053 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -69.51 -39.34 77.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.017 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.29 -49.46 60.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.737 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 32.3 ttm -57.63 -44.13 85.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.42 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -59.25 -48.38 81.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.592 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.58 -25.79 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.274 0.559 . . . . 0.0 110.33 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -78.66 -24.11 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.739 -176.259 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -101.87 -21.09 14.63 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.466 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -61.75 127.02 29.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.956 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.41 91.39 1.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.225 0.536 . . . . 0.0 110.341 179.085 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -64.52 133.46 52.43 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.525 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 40' ' ' ILE . 3.2 tp -107.52 135.23 46.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 174.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.713 HG21 HG12 ' A' ' 47' ' ' ILE . 7.9 m -121.25 145.4 27.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.049 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -113.44 -47.29 3.01 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.4 p -112.35 170.44 8.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.355 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.602 HG21 ' HG3' ' A' ' 129' ' ' GLN . 0.5 OUTLIER -73.34 -25.6 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.953 0.406 . . . . 0.0 109.953 178.891 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.495 ' N ' HG13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -51.74 -53.29 41.22 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.391 176.638 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -28.65 62.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.9 -177.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.713 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -67.83 -37.33 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.989 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -34.86 51.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.62 -32.6 71.07 Favored Glycine 0 N--CA 1.452 -0.291 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -37.51 82.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.027 -0.586 . . . . 0.0 110.544 175.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 47' ' ' ILE . 5.0 mm -66.82 -41.55 87.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.505 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.573 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 1.2 m -59.03 -25.69 63.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.906 178.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.01 2.97 11.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.47 0.653 . . . . 0.0 111.248 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.489 ' HE1' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -116.36 -23.71 8.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.404 167.701 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.67 -47.26 79.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.066 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -80.41 -17.65 51.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.149 0.499 . . . . 0.0 110.138 176.879 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.432 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 29.6 t80 -69.11 -42.29 76.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.838 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.712 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -62.13 -22.09 65.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.967 175.816 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -33.01 22.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.156 0.503 . . . . 0.0 110.2 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.66 -19.82 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.3 178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.712 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.9 mt -58.21 -57.43 26.12 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.32 -28.22 78.56 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 121.743 1.629 . . . . 0.0 111.937 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -75.4 -45.3 39.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.617 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.55 -34.07 65.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.654 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.48 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 30.6 t70 -61.55 -37.02 82.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.213 0.53 . . . . 0.0 109.735 175.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -45.06 96.26 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.256 175.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -59.6 -42.68 93.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.663 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.549 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 3.6 ttp85 -58.15 -47.58 82.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.714 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.36 -39.24 94.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 0.0 110.399 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.72 -16.19 61.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.851 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -81.37 -39.85 17.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.126 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.496 HD22 ' O ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -69.7 -23.3 63.41 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.773 171.838 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -72.22 -33.52 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.075 176.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 71' ' ' ILE . 39.3 mt -70.88 -45.94 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.045 175.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.524 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -69.87 -13.18 62.13 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.152 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -57.78 -48.8 78.65 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.823 0.344 . . . . 0.0 110.545 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.617 ' HB3' HD13 ' A' ' 13' ' ' LEU . 14.5 tp10 -83.95 -27.6 28.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.283 0.563 . . . . 0.0 109.842 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.54 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -85.35 -1.14 56.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.029 -176.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -121.96 -40.43 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.465 177.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -58.81 -29.61 66.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.665 -174.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.494 HG12 HG21 ' A' ' 10' ' ' ILE . 2.6 pp -65.84 -30.76 51.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.185 0.517 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.22 -30.84 22.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.421 0.629 . . . . 0.0 109.651 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.804 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.676 ' HE2' HD22 ' A' ' 15' ' ' LEU . 15.1 m-85 . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.595 HG21 ' HA ' ' A' ' 18' ' ' ALA . 12.3 t -131.43 104.09 6.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.441 0.639 . . . . 0.0 110.753 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.15 72.68 9.2 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.289 -0.882 . . . . 0.0 111.531 -177.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.418 HG23 ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -121.64 116.78 50.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.707 177.407 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.612 ' H ' HD12 ' A' ' 102' ' ' ILE . 64.3 p -77.12 157.85 80.62 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.049 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 45.2 Cg_exo -58.14 -22.78 58.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.536 2.158 . . . . 0.0 111.112 175.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -80.93 -40.66 24.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.198 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.612 HD12 ' H ' ' A' ' 99' ' ' THR . 16.5 mt -59.36 -51.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.045 176.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 tp -65.31 -33.51 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.879 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 m-20 -79.16 -49.19 12.97 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.288 -0.257 . . . . 0.0 111.0 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.3 m -62.71 -34.55 77.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.426 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -65.16 -42.13 94.01 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.586 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.0 t-105 -61.34 -44.42 97.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.019 175.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -41.65 86.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.718 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.439 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 8.0 tttt -67.44 -37.65 83.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.793 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 114' ' ' VAL . 3.0 t -63.9 -48.87 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.227 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 6.2 mm100 -60.01 -43.68 95.06 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.041 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 1.7 pt20 -73.83 -10.93 60.17 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.21 -8.45 29.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.443 0.64 . . . . 0.0 110.198 176.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.638 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 16.2 t -68.82 -54.73 12.29 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.973 -177.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.638 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 21.8 Cg_exo -66.41 -24.95 49.19 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 122.184 1.922 . . . . 0.0 111.68 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -65.13 -49.09 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.809 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.746 ' HE ' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -65.84 -38.28 88.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.276 176.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.577 ' HA ' HD12 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -62.48 -29.77 70.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.123 0.487 . . . . 0.0 110.495 177.867 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -74.43 -42.4 59.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.656 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.45 87.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.471 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.746 HD11 ' HE ' ' A' ' 117' ' ' ARG . 15.9 mt -64.71 -42.64 95.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.552 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.627 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -61.79 -42.86 99.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -47.59 84.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.101 0.477 . . . . 0.0 110.555 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.444 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.57 -39.49 80.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.433 -176.527 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.627 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -71.26 -25.08 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.818 0.342 . . . . 0.0 110.657 179.194 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.7 m -78.8 -17.4 55.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.982 0.42 . . . . 0.0 110.565 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.46 -9.82 59.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.105 0.479 . . . . 0.0 110.216 176.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.448 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 17.8 mm-40 -104.33 -138.93 0.36 Allowed 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.546 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.602 ' HG3' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.632 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.616 ' HA ' ' HB2' ' A' ' 11' ' ' ASP . 2.6 tt0 . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.587 0.232 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.75 -39.35 76.8 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.527 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.5 pp -85.47 -12.09 11.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.469 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.616 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 0.9 OUTLIER -70.48 -26.96 63.86 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 173.373 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -67.7 -33.79 75.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.37 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.733 HD12 ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -80.27 -24.33 40.15 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 174.348 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 8.9 m170 -58.98 -32.84 70.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.935 175.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.643 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -61.91 -41.39 97.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.611 175.199 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.41 -33.56 75.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.698 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -66.61 -42.0 87.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 -19.23 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.6 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -16.33 23.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.788 0.328 . . . . 0.0 111.305 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.462 ' HB3' HD11 ' A' ' 71' ' ' ILE . 15.9 mtt180 -107.45 -39.65 5.58 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.577 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.0 -19.56 64.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.701 0.286 . . . . 0.0 110.621 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -58.39 6.06 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.554 -177.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.67 -26.63 45.79 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.565 1.51 . . . . 0.0 111.593 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -69.13 -40.93 77.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.281 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -69.73 -29.6 67.02 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.523 0.678 . . . . 0.0 109.832 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -72.36 -37.87 68.7 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.496 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -67.55 -50.92 56.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.882 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.699 ' HE1' HG13 ' A' ' 103' ' ' ILE . 37.8 mtm -57.43 -40.42 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.862 -177.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -64.91 -48.7 73.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.118 179.802 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.0 m -68.45 -38.61 81.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.67 0.271 . . . . 0.0 111.258 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.69 -50.79 55.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.0 110.74 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.571 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 15.1 ttm -63.73 -27.06 68.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.602 178.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 1.1 tt0 -64.52 -45.74 85.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.177 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -69.76 -47.91 61.24 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.532 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.21 -28.35 69.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.304 -173.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.571 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -80.03 -33.57 39.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.411 . . . . 0.0 111.414 177.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.13 151.32 23.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.272 0.558 . . . . 0.0 111.836 -173.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.9 121.18 32.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.833 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -70.64 136.21 48.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.983 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.4 tp -109.27 133.81 53.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.834 173.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.467 HG21 HG12 ' A' ' 47' ' ' ILE . 12.1 m -126.82 150.64 32.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.168 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -112.69 -48.66 2.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.13 0.49 . . . . 0.0 109.797 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.1 p -109.55 168.85 9.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.273 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.443 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -71.41 -31.79 44.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.174 0.512 . . . . 0.0 110.323 178.629 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.86 -41.54 61.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.141 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.13 -34.34 72.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.613 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.72 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -64.5 -40.28 88.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.92 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.66 -36.19 82.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.165 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.5 -40.07 40.21 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.511 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -55.22 -46.91 75.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.011 -0.595 . . . . 0.0 111.073 175.232 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.72 HG12 ' O ' ' A' ' 47' ' ' ILE . 8.5 mm -63.22 -48.04 89.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.275 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.0 m -58.94 -39.25 81.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.46 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.15 93.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.792 0.329 . . . . 0.0 110.99 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.44 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 4.5 t60 -76.85 -31.47 56.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.334 177.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.5 -52.6 51.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.997 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.93 -20.36 64.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.552 0.692 . . . . 0.0 109.996 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.45 ' HD1' ' HD2' ' A' ' 58' ' ' LYS . 14.7 t80 -67.5 -40.09 85.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.666 175.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' HD2' ' HD1' ' A' ' 57' ' ' PHE . 11.9 mmmm -65.63 -17.59 64.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.959 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' HD2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -90.49 -30.88 17.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.079 178.147 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -74.87 -24.29 58.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.533 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.506 ' HB2' ' HD3' ' A' ' 62' ' ' PRO . 1.8 mt -56.69 -57.23 25.13 Favored Pre-proline 0 C--O 1.221 -0.42 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.138 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 51.1 Cg_exo -56.34 -34.14 93.31 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.966 1.777 . . . . 0.0 112.235 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -67.03 -54.61 19.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.213 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.39 -27.34 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.253 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 34.2 t70 -68.97 -27.97 66.2 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.273 0.559 . . . . 0.0 110.285 177.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -28.18 40.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.061 0.457 . . . . 0.0 109.905 173.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.43 ' OE1' ' HD3' ' A' ' 20' ' ' ARG . 5.6 mm-40 -68.89 -43.53 75.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.207 178.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 6.2 ptm180 -59.42 -35.26 73.65 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 120.813 0.34 . . . . 0.0 110.486 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -73.98 -37.91 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.293 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.15 -22.63 62.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.195 0.522 . . . . 0.0 110.885 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.462 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -82.71 -39.06 15.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.753 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -69.24 -26.73 64.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.372 174.239 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.83 78.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.52 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 71' ' ' ILE . 19.4 mt -65.62 -47.89 84.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.517 0.675 . . . . 0.0 109.791 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -67.81 -16.84 64.3 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.906 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -37.29 82.4 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 122.17 -0.331 . . . . 0.0 110.801 -177.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.38 -29.38 16.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.341 0.591 . . . . 0.0 109.873 177.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.733 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -92.92 -0.34 57.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.715 -173.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.6 OUTLIER -119.33 -43.4 2.62 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.282 176.286 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.7 OUTLIER -56.9 -28.83 62.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.173 -175.039 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.467 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 2.5 pp -63.51 -33.58 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.191 0.519 . . . . 0.0 110.637 178.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.61 -7.96 56.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.14 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.176 177.584 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.643 ' HE2' HD22 ' A' ' 15' ' ' LEU . 23.2 m-85 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.714 0.292 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.4 t -96.72 147.19 24.17 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.25 61.45 1.72 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.827 0.823 . . . . 0.0 111.76 -176.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.3 m -134.7 153.45 35.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.326 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.8 p -124.44 166.62 18.76 Favored Pre-proline 0 C--N 1.316 -0.854 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.604 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 49.5 Cg_exo -57.42 -24.86 63.05 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.25 1.967 . . . . 0.0 111.531 173.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -79.15 -48.26 14.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.055 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 mt -57.12 -44.41 83.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.113 0.482 . . . . 0.0 110.569 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.699 HG13 ' HE1' ' A' ' 28' ' ' MET . 0.2 OUTLIER -69.27 -35.33 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.453 -179.73 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.604 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 t-20 -77.04 -49.54 15.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.203 -177.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.6 p -54.61 -40.46 68.91 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.785 0.326 . . . . 0.0 111.223 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -66.91 -47.55 71.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.991 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -57.92 -42.21 84.32 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.989 0.424 . . . . 0.0 110.283 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.1 -46.35 90.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.682 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -62.73 -37.08 85.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.415 179.267 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 114' ' ' VAL . 3.0 t -62.74 -48.81 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.188 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.42 ' NE2' HD13 ' A' ' 61' ' ' LEU . 13.0 mm-40 -61.28 -42.2 98.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.695 -177.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.5 pt20 -74.52 -21.91 59.3 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 mt -88.08 -10.52 49.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.342 0.591 . . . . 0.0 110.561 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 110' ' ' VAL . 16.3 t -68.31 -52.18 22.34 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.716 -175.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.522 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 34.9 Cg_exo -61.1 -35.48 86.42 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.307 2.004 . . . . 0.0 112.206 178.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -62.9 -47.75 81.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 110.307 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -65.41 -36.68 84.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.565 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.55 -30.56 71.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.238 0.542 . . . . 0.0 110.352 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -78.81 -44.84 22.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.41 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.688 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.625 HD22 HD13 ' A' ' 51' ' ' ILE . 30.3 mt -61.61 -49.97 74.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.654 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.706 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 9.5 mt -61.36 -45.65 93.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.76 -42.2 92.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.235 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.96 -35.46 43.07 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.659 0.266 . . . . 0.0 111.587 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.706 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.7 pt20 -69.98 -25.82 63.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.737 0.303 . . . . 0.0 110.739 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.5 m -73.95 -11.08 60.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.856 0.36 . . . . 0.0 110.754 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -93.47 -5.23 49.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.926 0.394 . . . . 0.0 110.453 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -88.77 -128.72 0.07 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.495 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.254 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 C--O 1.234 0.238 0 CA-C-O 120.978 0.418 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.94 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.216 0.531 . . . . 0.0 109.906 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.431 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.3 pp -77.87 -11.55 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.411 178.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.0 OUTLIER -70.74 -26.37 63.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.698 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -73.58 -27.15 61.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.328 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.474 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . 50.4 mt -72.58 -36.26 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 170.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 41.1 m170 -59.49 -38.15 80.11 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.647 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.637 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.78 -46.86 86.55 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.745 173.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -66.56 -31.03 71.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.044 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.606 ' HB3' HG21 ' A' ' 96' ' ' THR . 1.6 t80 -71.73 -45.15 62.68 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.117 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.21 -24.81 63.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.751 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -34.33 48.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.858 0.361 . . . . 0.0 110.598 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.38 -38.16 16.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.647 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.14 -18.95 64.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.634 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -65.17 -59.54 9.69 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.933 -177.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 56.7 Cg_endo -71.45 -27.45 19.08 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.435 1.423 . . . . 0.0 111.893 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.46 ' HE1' ' HB1' ' A' ' 64' ' ' ALA . 0.8 OUTLIER -65.38 -43.99 88.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.008 177.662 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -71.09 -28.31 64.24 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.003 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -66.78 -40.63 88.24 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.608 0.718 . . . . 0.0 109.17 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -65.65 -48.3 72.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.807 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.506 ' HE2' ' HB2' ' A' ' 107' ' ' TRP . 26.4 mtt -62.52 -16.73 57.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.599 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' OE1' ' HA ' ' A' ' 29' ' ' GLU . 4.9 mm-40 -85.12 -65.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.569 0.223 . . . . 0.0 110.501 175.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.9 m -61.78 -43.22 99.28 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.34 74.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 111.084 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' A' ' 109' ' ' LYS . 16.6 ttm -64.52 -36.44 84.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.602 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -67.39 -37.7 83.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.34 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.25 -34.3 49.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.227 0.537 . . . . 0.0 110.608 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 113' ' ' LEU . 2.1 mp -70.08 -38.17 75.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.814 -178.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -38.99 72.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.855 -178.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.09 143.85 47.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.833 0.349 . . . . 0.0 111.555 -173.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.3 tpt -70.12 127.62 33.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.903 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -85.89 134.65 33.88 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.189 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.3 tp -104.54 127.2 59.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 121.647 0.737 . . . . 0.0 110.028 176.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.581 HG21 HD12 ' A' ' 47' ' ' ILE . 33.4 m -126.78 148.8 31.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.509 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -124.34 -40.74 2.22 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.902 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 p -113.04 166.53 11.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.479 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.485 HD12 HG22 ' A' ' 47' ' ' ILE . 3.3 tp -65.31 -39.55 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.672 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.18 -38.64 77.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.062 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.6 -52.0 65.11 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.478 0.18 . . . . 0.0 110.879 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.691 HD11 ' HB3' ' A' ' 124' ' ' GLU . 1.8 tt -68.01 -29.38 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-O 120.822 0.344 . . . . 0.0 110.146 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -27.63 63.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.82 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.92 -35.68 11.06 Favored Glycine 0 CA--C 1.506 -0.505 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -48.87 -46.52 42.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.832 -0.684 . . . . 0.0 111.3 172.403 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.8 mm -66.49 -36.35 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.204 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.13 -31.25 72.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.004 0.431 . . . . 0.0 110.769 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.71 -24.5 66.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.897 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.43 ' HD2' ' OD1' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -91.17 -28.07 18.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.222 176.793 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.1 -50.08 69.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.392 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -71.38 -18.76 62.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.902 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -66.57 -36.07 81.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.127 0.489 . . . . 0.0 110.103 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.551 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.37 -12.76 61.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.977 177.816 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.72 -26.63 13.1 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.88 -28.9 29.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.4 . . . . 0.0 110.559 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 61' ' ' LEU . 4.2 mt -55.75 -58.13 17.55 Favored Pre-proline 0 C--O 1.221 -0.403 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.098 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 12.4 Cg_endo -55.96 -34.06 90.94 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.193 1.928 . . . . 0.0 112.744 -177.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.54 -48.73 59.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.059 0.457 . . . . 0.0 110.326 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.46 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -72.05 -31.92 66.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.694 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.4 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 14.8 t70 -64.02 -43.29 96.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.741 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.56 -31.06 72.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.215 0.531 . . . . 0.0 110.285 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -70.38 -32.92 70.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.241 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -63.6 -33.68 76.15 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.955 0.407 . . . . 0.0 110.252 178.371 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -35.7 65.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.851 176.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.47 -13.19 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.54 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -92.0 -37.41 8.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 72' ' ' LEU . 9.0 mt -70.92 -23.67 62.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.497 175.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.74 -18.05 65.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.186 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 71' ' ' ILE . 11.9 mt -86.91 -36.93 10.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.708 0.766 . . . . 0.0 109.929 175.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.519 ' CE1' ' HG2' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -71.67 -30.62 65.92 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.798 -174.228 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -62.3 -32.17 72.88 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.013 -176.647 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.485 ' N ' ' HD3' ' A' ' 76' ' ' LYS . 4.3 tp10 -89.24 -31.41 17.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.177 0.513 . . . . 0.0 110.469 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 13' ' ' LEU . . . -95.31 4.8 53.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -175.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -122.91 -51.15 1.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 177.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 ptt-85 -56.88 -29.78 63.26 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.494 0.497 . . . . 0.0 111.119 -173.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 82' ' ' ALA . 1.9 pp -56.05 -44.37 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.018 0.437 . . . . 0.0 110.163 177.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.405 ' N ' HD12 ' A' ' 81' ' ' ILE . . . -76.81 -34.78 57.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.482 -176.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.32 -0.676 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.6 178.18 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.637 ' CD2' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.606 HG21 ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -77.32 74.15 3.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.624 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 m -61.08 -37.17 81.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.763 0.792 . . . . 0.0 109.737 171.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.524 HG13 HG22 ' A' ' 96' ' ' THR . 0.4 OUTLIER -59.44 106.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.37 -1.286 . . . . 0.0 111.109 175.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.693 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -90.33 163.28 31.8 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.11 176.863 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.693 ' HD2' HG22 ' A' ' 99' ' ' THR . 81.8 Cg_exo -49.09 -37.49 38.27 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.238 2.625 . . . . 0.0 112.834 177.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -72.9 -35.29 67.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.189 -177.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.558 HD12 ' OG1' ' A' ' 99' ' ' THR . 3.5 mt -63.83 -47.38 91.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -33.51 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.372 -178.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -76.41 -42.81 42.93 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.039 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.6 p -61.47 -39.78 92.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.808 0.337 . . . . 0.0 110.724 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -63.14 -46.72 85.92 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.58 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.506 ' HB2' ' HE2' ' A' ' 28' ' ' MET . 70.7 t-105 -61.79 -42.55 99.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.397 176.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -62.57 -41.76 99.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.323 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.418 ' HB3' ' CE ' ' A' ' 32' ' ' MET . 0.1 OUTLIER -60.54 -40.96 93.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.471 176.457 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.38 -43.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.377 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -60.63 -44.25 96.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.511 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.51 -11.98 59.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.488 ' HB3' HD23 ' A' ' 35' ' ' LEU . 3.3 mt -85.89 -15.97 40.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.909 0.385 . . . . 0.0 110.331 178.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.458 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 57.7 t -62.79 -57.82 19.82 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.108 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.458 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 24.6 Cg_endo -63.31 -31.86 73.18 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.171 1.914 . . . . 0.0 112.12 178.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -51.88 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.368 0.604 . . . . 0.0 110.414 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -70.47 -33.99 71.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.557 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.43 ' OD1' ' HD2' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -62.76 -34.3 76.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.274 0.559 . . . . 0.0 109.919 178.867 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -72.34 -44.71 62.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.996 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.45 87.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.032 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.486 HD22 HD13 ' A' ' 51' ' ' ILE . 38.9 mt -70.82 -50.26 37.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.368 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.475 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.9 OUTLIER -77.73 0.39 23.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.844 -175.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.09 -14.13 16.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.144 0.497 . . . . 0.0 109.757 172.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.691 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -102.84 -48.23 4.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.357 -174.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.545 ' HA ' HD13 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -67.79 -20.11 65.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.719 -174.553 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.44 -20.26 58.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.856 0.36 . . . . 0.0 110.784 178.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 5.47 50.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.01 0.434 . . . . 0.0 110.405 178.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.542 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 4.0 mm-40 -84.56 -130.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.31 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.542 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 1.2 pt20 . . . . . 0 C--O 1.247 0.922 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--O 1.233 0.222 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.41 -34.35 67.79 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.594 -176.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 81' ' ' ILE . 1.1 pp -87.63 -16.04 9.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.254 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 5.7 t70 -73.23 -27.42 61.59 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.04 176.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -74.31 -7.83 54.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.905 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -113.33 -5.51 13.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 170.652 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -61.92 -39.91 93.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.832 177.557 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.735 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.55 -21.47 61.88 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.32 -176.616 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.84 -40.31 87.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.908 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER -62.64 -47.46 83.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.223 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.53 -24.58 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.647 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -83.23 -26.84 30.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.596 0.236 . . . . 0.0 111.045 179.231 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.555 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -91.96 -36.95 13.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.882 0.372 . . . . 0.0 110.782 -179.315 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.46 -22.73 64.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.368 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.479 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -64.04 -59.62 10.79 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.112 -175.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.479 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 47.5 Cg_endo -69.57 -29.51 24.64 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.576 1.517 . . . . 0.0 111.677 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.499 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 3.4 t80 -65.83 -42.32 90.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.683 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.46 -26.13 60.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.317 0.58 . . . . 0.0 109.945 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -74.82 -38.1 62.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.373 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -66.72 -47.63 71.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.867 177.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 6.2 mtm -60.88 -36.13 78.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.932 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 21.1 mm-40 -61.0 -55.46 32.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.676 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -39.53 90.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.49 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.267 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.526 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 15.1 ttm -68.31 -25.49 65.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.444 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -68.09 -44.56 75.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.196 177.807 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.88 -46.77 70.74 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.649 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.98 -27.94 69.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.201 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -69.74 -32.18 70.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.009 178.7 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -78.59 -176.63 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.115 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.28 144.58 49.9 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.513 177.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -100.45 135.41 41.93 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.282 0.563 . . . . 0.0 111.087 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.0 tp -120.26 137.38 54.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.486 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.875 HG21 HG12 ' A' ' 47' ' ' ILE . 8.8 m -126.72 151.51 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -104.67 -59.84 1.68 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.174 0.512 . . . . 0.0 109.714 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.581 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -105.49 172.5 6.76 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.113 -177.102 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.551 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -69.75 -31.14 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 110.85 -175.331 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.581 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 1.5 mp0 -62.08 -34.55 76.5 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 177.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -73.39 -36.19 66.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.282 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.875 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -65.24 -39.55 85.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.162 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -74.27 -30.97 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.375 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.03 -37.82 87.92 Favored Glycine 0 CA--C 1.505 -0.559 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.526 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -62.07 -48.93 78.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.724 -0.738 . . . . 0.0 110.593 172.237 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.768 HG12 ' O ' ' A' ' 47' ' ' ILE . 19.4 mm -56.22 -51.22 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.67 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 m -54.78 -37.42 65.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.36 66.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.24 0.543 . . . . 0.0 111.208 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 6.7 t60 -91.42 -29.58 16.98 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.803 175.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -62.41 -49.12 76.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.627 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -71.98 -21.56 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.261 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.508 ' HE2' HG22 ' A' ' 114' ' ' VAL . 45.8 t80 -65.62 -35.3 80.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.731 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HE2' ' HB3' ' A' ' 58' ' ' LYS . 1.5 mmmm -70.85 -18.95 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.498 0.665 . . . . 0.0 109.827 178.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 m -87.82 -33.26 18.67 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.542 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -21.19 54.92 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.641 0.258 . . . . 0.0 111.407 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.618 ' HB2' ' HD3' ' A' ' 62' ' ' PRO . 2.6 mt -54.46 -57.87 16.68 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.081 -177.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.618 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 49.0 Cg_exo -56.27 -35.38 95.63 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.205 1.937 . . . . 0.0 112.884 -177.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -69.65 -54.42 14.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.122 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.407 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -67.24 -33.51 75.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.045 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.539 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 22.2 t70 -61.37 -47.14 87.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.427 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 4.2 mmm180 -65.23 -33.1 75.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.442 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -60.85 -43.88 97.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.528 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.499 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -59.37 -37.29 77.55 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.966 0.413 . . . . 0.0 110.536 179.524 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.65 -43.14 66.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.361 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.01 -19.16 65.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.147 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.555 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -84.23 -40.04 15.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -179.267 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.41 -22.49 61.85 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.417 175.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.01 -44.48 80.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.414 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 71' ' ' ILE . 13.0 mt -62.22 -42.4 95.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.542 0.687 . . . . 0.0 109.879 175.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.549 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -66.19 -24.86 66.7 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.85 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.499 ' HA ' ' HD3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -61.64 -44.43 96.98 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.334 178.311 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -83.18 -23.56 32.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -177.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.515 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -103.0 6.44 38.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.291 -176.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -124.34 -42.28 2.12 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.593 175.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.569 ' HA ' ' HB2' ' A' ' 83' ' ' GLU . 20.8 ptt85 -59.93 -22.03 61.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 -176.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 10' ' ' ILE . 2.1 pp -65.2 -34.43 70.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-O 121.156 0.503 . . . . 0.0 110.578 176.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.42 -19.46 26.51 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.659 0.742 . . . . 0.0 109.659 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 80' ' ' ARG . 88.6 mt-10 . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.262 176.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.408 ' CE2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.32 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.84 70.16 10.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.753 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.03 47.52 1.51 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.393 1.092 . . . . 0.0 110.14 175.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.81 111.9 12.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.508 -176.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.589 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -80.85 148.99 66.36 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.676 -179.115 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.589 ' HD2' HG22 ' A' ' 99' ' ' THR . 10.7 Cg_endo -54.81 -39.2 91.01 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.821 2.347 . . . . 0.0 112.281 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -65.02 -36.99 86.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.347 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.1 mp -64.3 -33.03 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.988 -176.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -93.89 -34.82 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 120.73 0.3 . . . . 0.0 111.644 -178.125 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -76.91 -43.43 35.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.675 0.274 . . . . 0.0 111.375 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 m -74.91 -24.46 58.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.571 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 3.4 mttt -68.08 -38.37 82.3 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 174.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.539 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 67.4 t-105 -60.2 -42.15 94.5 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 174.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.59 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.565 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.512 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 18.5 mttm -64.94 -40.64 95.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.076 0.465 . . . . 0.0 109.975 174.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 114' ' ' VAL . 43.0 t -62.86 -48.14 89.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.046 176.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -61.39 -31.67 71.58 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.386 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.4 pt20 -70.58 -23.39 62.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.7 mt -98.3 -8.61 26.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.316 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 110' ' ' VAL . 86.3 t -67.12 -56.32 13.61 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.683 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 21.4 Cg_endo -60.71 -33.43 93.17 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.853 -178.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -63.24 -48.79 76.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.213 0.53 . . . . 0.0 110.308 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.3 tpp85 -74.21 -29.42 61.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.66 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -33.85 76.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.185 0.517 . . . . 0.0 110.041 176.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -88.61 -44.26 10.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.662 -175.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 124' ' ' GLU . . . -61.53 -38.35 87.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.972 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 51' ' ' ILE . 18.4 mt -67.78 -48.25 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.625 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.476 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -58.29 -44.79 88.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.237 178.689 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -45.25 88.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.682 0.277 . . . . 0.0 110.875 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.542 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.49 -42.4 87.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.554 -178.86 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.509 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.1 pt20 -67.74 -26.23 66.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 110.557 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.6 m -78.83 -16.26 57.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.621 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -87.63 4.47 43.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.32 0.581 . . . . 0.0 110.375 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -106.45 -138.74 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.587 175.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.992 0 CA-C-O 119.001 -0.523 . . . . 0.0 109.763 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.703 0.287 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.29 -36.75 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 110.163 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.446 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.3 pp -79.07 -17.6 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.637 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 7.7 t70 -73.27 -27.6 61.65 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -72.36 -16.58 61.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.105 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -105.39 -6.56 19.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.169 0.509 . . . . 0.0 109.737 171.687 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.567 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -60.59 -34.43 74.2 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.029 175.528 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.88 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.47 -26.55 46.1 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.753 -179.698 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.9 mm-40 -63.44 -39.02 93.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.939 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -57.98 -51.16 70.81 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 172.773 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.58 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.717 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -34.89 43.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.454 179.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -87.1 -37.11 17.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 111.299 -179.376 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB3' HG21 ' A' ' 98' ' ' VAL . . . -66.91 -20.72 65.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.746 178.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -65.21 -61.18 6.45 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.068 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 44.3 Cg_endo -69.42 -27.02 28.58 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.535 1.49 . . . . 0.0 111.906 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.505 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.0 t80 -67.19 -43.11 82.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.199 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -67.83 -28.61 67.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.446 0.641 . . . . 0.0 109.664 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.95 -37.33 78.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.913 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -65.91 -47.85 73.41 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.319 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 24' ' ' PHE . 33.3 mtt -55.36 -42.13 73.49 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.907 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -59.24 -58.54 8.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.437 177.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -57.09 -40.63 77.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.303 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.45 -55.0 10.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.334 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.66 ' HE2' HG23 ' A' ' 110' ' ' VAL . 11.1 ttm -62.9 -34.97 78.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.211 -177.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -75.25 -37.07 61.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.38 -179.348 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.82 -42.06 91.04 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 1.2 mp -71.15 -25.06 62.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.648 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.5 OUTLIER -79.17 -40.94 29.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 177.753 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -72.47 168.6 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.3 0.571 . . . . 0.0 111.377 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.24 144.77 29.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.486 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -104.02 113.96 27.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.111 0.482 . . . . 0.0 110.711 -177.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 mm -93.65 127.03 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 121.198 0.523 . . . . 0.0 109.853 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.606 HG21 HG12 ' A' ' 47' ' ' ILE . 28.7 m -120.76 143.05 34.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.008 -176.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -102.28 -44.06 5.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.327 0.584 . . . . 0.0 109.72 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.74 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -126.99 162.44 25.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.787 -177.343 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -67.83 -24.13 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.93 -177.374 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.74 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -54.47 -44.37 72.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.277 0.56 . . . . 0.0 109.729 174.242 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -74.48 -34.44 63.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.471 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.677 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -64.06 -37.84 80.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.379 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -31.04 62.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.291 0.567 . . . . 0.0 109.482 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.06 -36.31 64.34 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -59.73 -43.97 93.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.899 -0.651 . . . . 0.0 110.365 174.017 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.677 HG12 ' O ' ' A' ' 47' ' ' ILE . 8.9 mm -61.63 -43.35 96.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.795 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 55' ' ' ASP . 16.5 m -62.12 -27.39 68.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.227 178.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.75 -5.14 38.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.996 0.427 . . . . 0.0 111.068 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -111.81 -31.6 6.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.071 0.462 . . . . 0.0 109.768 171.245 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 52' ' ' SER . 50.9 t0 -65.42 -50.3 65.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.794 176.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.548 ' HA ' ' OG ' ' A' ' 59' ' ' SER . 17.5 mm-40 -76.17 -15.44 60.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.245 0.545 . . . . 0.0 110.275 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 42.5 t80 -73.5 -32.01 64.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.834 173.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.758 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -73.74 -15.96 61.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.434 175.809 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.548 ' OG ' ' HA ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -89.03 -25.19 22.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.543 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -32.04 34.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.932 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.758 HD12 ' HE3' ' A' ' 58' ' ' LYS . 3.8 mt -53.02 -51.53 73.98 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -175.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 9.5 Cg_endo -52.46 -36.91 71.75 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.504 2.136 . . . . 0.0 113.473 -178.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -88.72 -34.38 17.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.614 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.7 88.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.664 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.402 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 18.1 t70 -63.35 -38.98 93.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.434 0.635 . . . . 0.0 109.389 175.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 66' ' ' ARG . 10.5 mtp-105 -62.77 -38.76 91.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.313 176.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -60.2 -46.32 90.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.54 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.505 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -59.27 -37.21 77.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.386 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -71.04 -40.84 71.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.525 176.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.79 -15.21 61.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.456 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.472 HG21 HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -89.18 -38.93 11.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' ' 100' ' ' PRO . 2.2 mt -69.92 -28.23 65.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.165 174.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.52 -40.64 92.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.241 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.8 mt -65.42 -36.95 78.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.818 0.818 . . . . 0.0 109.834 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -77.87 -16.49 58.23 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.024 -177.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -61.79 -42.74 99.39 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.746 -175.827 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.28 -26.79 23.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.225 0.536 . . . . 0.0 109.869 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -79.09 -7.37 58.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.328 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -115.46 -30.08 6.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.088 174.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.567 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -60.88 -28.2 68.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.663 0.268 . . . . 0.0 110.801 -176.538 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 pp -64.7 -42.01 93.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.96 0.41 . . . . 0.0 110.33 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.95 -21.4 47.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.413 0.625 . . . . 0.0 110.418 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.61 176.732 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.493 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.447 0 CA-C-O 121.546 0.688 . . . . 0.0 109.367 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.42 72.32 7.29 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.21 -0.905 . . . . 0.0 112.289 -177.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.6 m -67.34 -36.43 81.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.807 0.813 . . . . 0.0 109.49 170.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -63.32 123.53 16.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.241 176.226 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.41 ' H ' HD12 ' A' ' 102' ' ' ILE . 57.2 p -102.07 166.86 11.37 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.195 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.583 ' HB3' HD21 ' A' ' 72' ' ' LEU . 32.8 Cg_exo -60.41 -32.43 93.87 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.415 2.076 . . . . 0.0 111.171 172.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -43.69 69.97 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.66 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.473 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 3.6 mt -56.28 -51.66 60.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.387 177.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.472 HD13 HG21 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -72.11 -37.52 60.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.629 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 7.5 t30 -76.76 -49.35 16.16 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.092 -0.38 . . . . 0.0 111.578 -176.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.2 m -68.79 -30.26 68.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.3 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 17.9 mtpt -71.41 -34.26 70.18 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.305 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.402 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 60.2 t-105 -62.59 -45.63 92.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.092 0.472 . . . . 0.0 109.947 175.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.37 -33.11 75.19 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.343 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.72 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -68.04 -37.39 81.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.5 175.113 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.66 HG23 ' HE2' ' A' ' 32' ' ' MET . 2.2 t -63.82 -48.94 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.738 177.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.556 HE22 HD13 ' A' ' 61' ' ' LEU . 36.0 mm-40 -61.9 -37.56 85.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.223 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.72 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -76.37 -5.79 48.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.813 -178.093 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 109' ' ' LYS . 7.1 mt -102.41 -7.54 21.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.443 0.64 . . . . 0.0 110.28 176.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.603 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 69.6 t -71.91 -52.64 7.59 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.587 -175.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.603 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 40.6 Cg_exo -57.8 -46.83 23.92 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.554 2.169 . . . . 0.0 113.353 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -58.21 -37.1 74.14 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.971 0.415 . . . . 0.0 111.036 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.89 -39.22 56.84 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.224 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -30.82 70.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.22 0.533 . . . . 0.0 110.245 177.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -79.82 -44.15 21.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.134 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.25 83.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.813 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.431 HD22 HD13 ' A' ' 51' ' ' ILE . 31.7 mt -62.47 -47.24 84.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.295 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.709 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -63.03 -36.81 84.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.945 177.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -58.17 -48.7 79.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 110.586 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.672 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -72.26 -41.88 66.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.875 -177.221 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.709 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.4 pt20 -62.28 -28.08 69.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.695 0.284 . . . . 0.0 111.119 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 m -92.67 -4.62 52.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.207 0.527 . . . . 0.0 110.533 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -98.56 -0.16 43.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.161 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 124' ' ' GLU . 90.0 mm-40 -86.57 -134.54 0.07 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.72 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.096 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.129 0.49 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.8 82.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.93 -178.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.453 ' HB ' ' HA ' ' A' ' 78' ' ' ALA . 1.5 pp -84.41 -6.56 10.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.18 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.451 ' O ' ' HE2' ' A' ' 95' ' ' TYR . 1.5 t0 -87.95 -22.91 24.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.112 0.482 . . . . 0.0 110.171 175.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.559 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 96.7 mm-40 -89.97 -16.41 29.94 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 175.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.722 HD23 ' HB2' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -77.01 -41.37 43.01 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 112.846 -1.979 . . . . 0.0 108.501 167.446 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.555 ' CD2' ' HB1' ' A' ' 78' ' ' ALA . 12.5 m170 -55.37 -32.18 62.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.723 171.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' HE2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.76 -45.59 78.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.257 -179.13 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -30.94 69.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.327 -179.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.486 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.2 t80 -69.65 -46.81 65.3 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.43 -11.58 60.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.217 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.641 ' HE2' HD13 ' A' ' 15' ' ' LEU . 1.6 mptp? -90.18 -31.19 17.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.831 176.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.773 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -94.89 -42.48 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.706 0.289 . . . . 0.0 111.675 -177.584 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -70.75 -15.15 62.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.95 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -74.48 -55.68 2.65 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.165 -175.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 15.1 Cg_exo -69.47 -26.81 28.57 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.76 1.64 . . . . 0.0 111.474 175.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.691 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.3 t80 -68.75 -41.91 78.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.424 177.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 64.1 t30 -69.81 -30.68 68.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.384 0.611 . . . . 0.0 109.5 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -71.99 -37.48 69.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.359 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -63.68 -45.48 89.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.604 175.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 56.7 mtt -62.77 -39.03 92.93 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.537 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 7.9 mm-40 -60.21 -48.27 82.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 177.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.0 m -62.15 -45.12 94.86 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.481 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.77 -49.52 65.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.8 ttm -63.51 -30.57 71.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 -177.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -85.27 -40.18 16.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.331 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.78 -45.83 91.06 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.599 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 5.8 mp -71.26 -23.22 61.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.034 -175.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.02 -24.08 21.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.388 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.77 155.72 32.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.375 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.0 ttm -94.4 136.74 34.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.734 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 121' ' ' LEU . 32.3 p90 -101.98 135.93 42.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.209 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 40' ' ' ILE . 5.7 tp -119.23 137.11 54.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 173.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 47' ' ' ILE . 27.8 m -125.75 156.59 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.975 -175.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -115.17 -39.17 3.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.239 0.542 . . . . 0.0 109.829 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.557 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -130.46 172.11 12.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.688 -176.28 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -76.4 -25.63 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.108 0.48 . . . . 0.0 110.122 -179.178 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.557 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 3.0 mp0 -56.97 -47.16 81.42 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.548 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -77.57 -25.56 50.12 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.084 178.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.776 HG13 ' HG3' ' A' ' 128' ' ' GLN . 0.1 OUTLIER -65.07 -38.37 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.443 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -74.58 -29.64 61.41 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.479 ' N ' ' HG3' ' A' ' 48' ' ' GLU . . . -72.74 -38.59 56.72 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.498 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -53.06 -45.96 68.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.811 -0.695 . . . . 0.0 110.785 174.215 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.627 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.1 mm -68.88 -45.75 80.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.8 m -58.09 -40.24 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.522 0.201 . . . . 0.0 111.236 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -32.16 72.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 0.0 111.167 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -83.48 -34.43 25.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.344 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -67.11 -45.61 76.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.857 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -25.64 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.153 0.502 . . . . 0.0 109.827 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.543 ' HE2' HG22 ' A' ' 114' ' ' VAL . 58.6 t80 -69.15 -38.22 78.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.36 176.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.482 ' HE2' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -60.41 -26.32 66.6 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.238 174.056 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.61 -23.94 19.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 m -78.98 -20.73 48.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.096 0.474 . . . . 0.0 110.536 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.482 HD12 ' HE2' ' A' ' 58' ' ' LYS . 3.9 mt -58.33 -56.84 31.07 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.335 -177.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.2 Cg_endo -54.01 -33.34 72.55 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.062 1.841 . . . . 0.0 113.061 -177.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.84 -47.4 38.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.035 0.445 . . . . 0.0 110.567 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.72 -30.63 70.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.641 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 11.3 t0 -59.34 -44.74 92.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.302 177.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -36.17 83.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.792 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' OE1' ' HD3' ' A' ' 20' ' ' ARG . 45.5 mm-40 -62.51 -39.8 94.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.498 177.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.691 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -60.57 -41.22 94.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.966 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -36.58 65.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.542 178.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.31 -14.97 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.773 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -86.14 -38.36 12.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.579 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.11 -24.62 65.05 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.301 173.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.75 76.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.547 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 71' ' ' ILE . 7.8 mt -70.89 -43.55 76.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.564 0.697 . . . . 0.0 109.78 174.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -65.45 -18.76 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.918 -179.041 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -59.91 -48.13 82.95 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.732 0.301 . . . . 0.0 110.664 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.513 ' HB2' HD21 ' A' ' 13' ' ' LEU . 61.6 mm-40 -82.03 -26.3 33.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.331 0.586 . . . . 0.0 110.223 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.722 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -87.77 -1.94 58.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.938 -176.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 1.3 tp60 -124.04 -34.07 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.764 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -58.35 -26.86 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.026 0.204 . . . . 0.0 111.282 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 pp -61.52 -44.19 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 0.0 110.262 176.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.73 -20.56 46.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.314 0.578 . . . . 0.0 110.313 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 23.0 mt-10 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.625 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.59 ' CE2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.517 -0.326 0 CA-C-O 121.636 0.732 . . . . 0.0 109.126 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.96 72.65 5.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.582 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 m -76.49 -38.19 55.65 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.845 0.831 . . . . 0.0 108.794 171.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.514 HG21 ' HB1' ' A' ' 21' ' ' ALA . 1.4 p -52.86 108.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.282 171.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.715 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -96.34 157.93 34.72 Favored Pre-proline 0 N--CA 1.447 -0.607 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.098 -174.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.715 ' HD2' HG22 ' A' ' 99' ' ' THR . 6.1 Cg_endo -50.35 -42.08 49.09 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.084 2.523 . . . . 0.0 112.706 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -38.24 83.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 0.0 110.517 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.635 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -61.84 -37.37 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.626 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -34.75 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.852 0.358 . . . . 0.0 111.499 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -73.64 -49.03 28.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.791 0.329 . . . . 0.0 111.446 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.8 m -67.78 -33.23 74.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.064 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.8 OUTLIER -64.0 -48.86 74.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.264 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.442 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 61.2 t-105 -55.22 -44.33 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.403 176.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -43.85 87.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.138 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 4.7 mmtt -75.62 -29.0 59.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.665 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.64 -43.27 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.133 0.492 . . . . 0.0 109.823 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.478 ' NE2' HD13 ' A' ' 61' ' ' LEU . 21.9 mm-40 -60.27 -44.02 95.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.734 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -74.87 -12.57 60.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.519 -175.243 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 1.7 mt -89.54 -16.89 29.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.961 0.41 . . . . 0.0 110.503 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.721 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 89.7 t -60.09 -57.07 29.41 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.069 -177.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.721 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 35.3 Cg_exo -61.9 -36.73 70.73 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.532 2.154 . . . . 0.0 112.772 -176.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -47.45 85.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.976 0.417 . . . . 0.0 110.559 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -69.57 -34.55 74.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.929 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -63.9 -32.48 74.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 110.034 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -76.33 -43.2 42.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.182 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.58 -35.96 82.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.556 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 50' ' ' LEU . 18.5 mt -67.42 -53.77 26.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.195 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.714 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -64.91 -34.26 77.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.774 -175.122 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -52.3 66.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.575 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -74.91 -33.93 62.07 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.127 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.714 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -61.55 -31.81 71.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.339 . . . . 0.0 110.73 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.514 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 3.3 m -87.34 8.18 25.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.02 0.438 . . . . 0.0 111.011 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -109.37 -13.15 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.023 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.776 ' HG3' HG13 ' A' ' 47' ' ' ILE . 70.0 mm-40 -87.61 -43.67 11.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.42 0.629 . . . . 0.0 111.271 -175.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.294 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.434 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.439 0.162 . . . . 0.0 110.803 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -41.85 85.95 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pp -84.18 -5.49 9.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.227 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.2 t70 -85.3 -18.73 33.02 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.793 172.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 65.3 mm-40 -88.1 -29.32 20.7 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -66.16 -38.21 87.51 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 112.957 -1.928 . . . . 0.0 109.395 169.548 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 5.0 m170 -53.79 -32.34 52.2 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.945 177.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.622 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -61.26 -40.31 93.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.568 -179.161 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.73 -30.83 70.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.896 0.379 . . . . 0.0 110.201 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CD1' HG21 ' A' ' 96' ' ' THR . 2.0 t80 -69.9 -47.86 60.86 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 175.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.579 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -64.89 -32.74 74.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.49 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -11.76 56.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.921 0.391 . . . . 0.0 111.015 -174.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.551 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -109.01 -39.94 5.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.355 178.308 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -71.29 -17.16 62.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.099 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.503 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -71.84 -59.69 2.8 Favored Pre-proline 0 C--N 1.33 -0.268 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.85 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.503 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 37.0 Cg_endo -68.39 -23.24 38.25 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.277 1.318 . . . . 0.0 111.555 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.612 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.7 t80 -72.82 -41.47 64.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.524 ' OD1' ' HE2' ' A' ' 106' ' ' LYS . 3.1 t30 -74.08 -20.87 60.14 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.499 0.666 . . . . 0.0 109.934 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.93 -44.48 31.35 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.905 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -59.23 -51.56 69.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.645 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.57 ' HE3' ' O ' ' A' ' 103' ' ' ILE . 2.2 mmt -55.4 -41.88 73.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.458 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.56 -44.85 66.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.091 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.7 m -66.45 -38.33 87.12 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.609 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.81 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.47 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 10.6 ttm -66.18 -29.27 69.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.397 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -68.53 -46.07 70.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.596 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.97 -43.14 95.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.996 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -67.88 -33.66 75.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.153 -178.375 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -81.52 -35.23 30.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.696 -178.051 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.42 139.37 58.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.546 -174.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.23 111.39 20.97 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.395 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -78.65 136.48 37.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.343 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 40' ' ' ILE . 9.0 tp -110.47 133.01 57.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.523 HG12 HD11 ' A' ' 50' ' ' LEU . 33.2 m -125.13 151.31 30.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.102 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -118.95 -41.88 2.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.314 0.578 . . . . 0.0 109.452 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.87 171.45 10.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.996 -175.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.645 ' HA ' HD13 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.78 -26.85 31.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.384 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.544 ' N ' HG13 ' A' ' 44' ' ' ILE . 1.3 mt-10 -52.28 -44.79 65.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.178 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -71.31 -37.27 71.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.593 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.645 HD13 ' HA ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -70.15 -21.09 23.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 109.948 179.241 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.54 9.39 18.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.913 172.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.08 -62.89 0.3 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.504 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD11 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -75.53 -4.42 39.73 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -175.522 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.714 HG12 ' HB3' ' A' ' 121' ' ' LEU . 15.7 mt -88.63 -43.5 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -31.13 71.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 178.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.41 -34.95 76.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.688 175.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -83.27 -25.22 31.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.356 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -67.94 -51.82 43.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -65.21 -23.51 67.1 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.631 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -62.54 -33.56 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.038 175.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.731 ' HE3' HD12 ' A' ' 61' ' ' LEU . 3.2 mmmm -71.6 -17.64 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.629 177.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.46 -31.91 17.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.461 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.13 -25.43 58.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.884 0.373 . . . . 0.0 111.022 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.731 HD12 ' HE3' ' A' ' 58' ' ' LYS . 2.9 mt -57.08 -55.89 39.25 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -176.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.6 Cg_endo -54.28 -33.05 74.14 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.38 2.054 . . . . 0.0 113.582 -176.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -81.59 -45.64 15.56 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.823 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.47 75.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.121 0.486 . . . . 0.0 110.669 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -61.06 -48.41 81.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.82 175.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -43.05 99.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.683 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.53 -36.43 83.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.249 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.612 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -58.75 -39.78 81.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.001 0.429 . . . . 0.0 110.406 178.384 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -73.74 -34.11 64.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.251 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.67 -10.91 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.092 0.472 . . . . 0.0 110.875 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.684 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -88.98 -40.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 176.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.79 -29.91 71.06 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.348 173.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.97 99.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.99 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 71' ' ' ILE . 10.1 mt -63.18 -44.39 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.726 . . . . 0.0 110.208 177.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.52 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -69.57 -16.92 63.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.292 -176.144 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -51.41 70.07 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.26 0.552 . . . . 0.0 109.925 176.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.449 ' HA ' ' HD2' ' A' ' 80' ' ' ARG . 1.1 mp0 -75.04 -33.09 61.71 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.211 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -81.15 -4.55 55.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.809 -177.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.52 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -115.53 -34.29 4.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.523 0.201 . . . . 0.0 111.119 177.574 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.449 ' HD2' ' HA ' ' A' ' 77' ' ' GLU . 11.1 ptm180 -56.0 -30.46 61.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.79 -176.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.9 pp -67.61 -36.06 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.875 0.369 . . . . 0.0 110.631 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.97 -22.3 36.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.122 0.487 . . . . 0.0 110.393 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 51.0 mm-40 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.251 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.622 ' HE2' HD22 ' A' ' 15' ' ' LEU . 2.6 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.011 0.434 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.579 ' HB ' ' HA ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -126.26 88.21 2.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 0.0 111.08 -175.126 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 61.0 m -60.61 -24.48 65.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.45 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.442 HG13 ' OG1' ' A' ' 96' ' ' THR . 0.6 OUTLIER -55.17 128.46 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.742 177.033 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.616 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -98.53 160.19 28.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.343 179.217 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.616 ' HD2' HG22 ' A' ' 99' ' ' THR . 9.3 Cg_endo -52.94 -41.21 72.72 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.94 2.427 . . . . 0.0 112.415 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -69.85 -36.64 75.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.348 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.18 -43.07 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.3 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.57 ' O ' ' HE3' ' A' ' 28' ' ' MET . 0.3 OUTLIER -79.28 -34.88 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.326 -177.804 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -72.2 -44.11 63.49 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.891 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.5 m -63.81 -33.15 75.03 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.019 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.524 ' HE2' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -64.34 -45.22 88.78 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.864 0.364 . . . . 0.0 110.618 177.04 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -60.28 -41.22 92.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.216 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -40.05 93.52 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.367 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -64.87 -43.39 93.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.289 176.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 114' ' ' VAL . 40.1 t -59.11 -48.8 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.373 177.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -56.18 -49.26 74.51 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.788 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -71.57 -16.03 62.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.687 -174.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -14.62 30.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.824 0.345 . . . . 0.0 110.692 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 110' ' ' VAL . 48.4 t -60.91 -57.46 26.29 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.517 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 28.5 Cg_endo -63.59 -30.11 70.45 Favored 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.179 1.92 . . . . 0.0 112.501 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -53.38 49.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.029 0.442 . . . . 0.0 110.382 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.67 ' HE ' HD11 ' A' ' 121' ' ' LEU . 2.8 tpt180 -69.06 -32.79 72.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.416 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -34.7 77.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.083 0.468 . . . . 0.0 109.844 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -76.33 -44.91 34.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.936 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.21 89.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.714 ' HB3' HG12 ' A' ' 51' ' ' ILE . 22.1 mt -66.08 -51.55 57.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.81 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.17 -43.77 98.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.284 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -39.28 88.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 110.893 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -47.06 61.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.075 -178.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.557 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -67.97 -22.22 65.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.637 178.653 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.5 m -78.48 -25.18 45.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.964 0.412 . . . . 0.0 110.171 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -19.24 61.35 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 109.899 173.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -104.8 -147.84 0.4 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.003 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.197 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.23 -42.81 54.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.192 0.52 . . . . 0.0 110.258 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.524 ' HA ' HD21 ' A' ' 13' ' ' LEU . 1.1 pt -77.6 -13.17 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.168 -178.203 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.4 t0 -71.14 -20.81 62.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 173.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -75.06 -34.73 61.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.373 177.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.676 HD12 ' HB2' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -85.05 -16.55 40.31 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 175.374 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 3.6 m170 -57.03 -31.75 65.46 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 171.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.594 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -63.13 -39.42 94.63 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.992 178.467 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -36.68 85.09 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.296 0.569 . . . . 0.0 110.131 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD1' HG21 ' A' ' 96' ' ' THR . 2.4 t80 -64.18 -48.37 76.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.768 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.654 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -65.7 -30.32 70.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.325 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.527 ' HE2' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -79.02 -23.15 44.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.349 -176.71 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.634 ' HB3' HD11 ' A' ' 71' ' ' ILE . 8.7 mtt180 -104.29 -34.75 8.22 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.571 -177.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -67.1 -23.7 65.86 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.55 -60.14 6.03 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.681 -176.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 39.2 Cg_endo -67.79 -27.43 37.64 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.761 1.641 . . . . 0.0 111.718 179.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.407 ' HE1' ' HB1' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -69.1 -39.53 78.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.514 179.401 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 1.5 t-20 -71.19 -27.25 63.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.844 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -68.27 -43.47 77.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.393 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -68.36 -51.3 45.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.371 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.519 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 3.6 mtt -54.49 -46.06 73.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.844 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -48.36 70.81 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.839 -178.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 m -65.87 -39.14 90.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.062 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.37 18.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.093 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.49 ' HE2' HG23 ' A' ' 110' ' ' VAL . 34.9 ttm -56.05 -45.12 79.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.267 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 7.0 mm-40 -73.42 -29.17 62.4 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -176.058 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.73 -34.87 60.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.071 0.462 . . . . 0.0 109.956 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mp -67.78 -34.77 77.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.986 -173.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.427 ' H ' ' HG2' ' A' ' 36' ' ' GLN . 3.9 pt20 -90.91 -18.81 24.12 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 33' ' ' GLU . 6.6 t0 -67.46 159.02 30.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.208 0.528 . . . . 0.0 111.721 -173.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -80.87 101.66 9.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.323 -177.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -78.23 138.24 38.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.852 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.0 tp -115.85 130.0 71.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.447 0.642 . . . . 0.0 110.569 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.08 155.98 38.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.742 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -102.89 -61.58 1.38 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.988 0.423 . . . . 0.0 110.322 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.87 171.74 7.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.482 -175.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.468 HD12 HE21 ' A' ' 129' ' ' GLN . 0.0 OUTLIER -64.1 -31.5 53.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-O 121.123 0.487 . . . . 0.0 110.736 177.216 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.13 -40.06 67.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.071 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.41 -40.46 77.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.165 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.763 HD11 ' HG3' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -62.14 -33.74 60.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.238 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -16.79 64.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.947 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.11 -44.71 1.24 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.572 176.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -50.01 75.5 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 123.806 0.842 . . . . 0.0 111.396 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.614 HG12 ' HB3' ' A' ' 121' ' ' LEU . 31.0 mt -65.54 -36.04 76.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.975 0.417 . . . . 0.0 110.434 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -64.47 -21.8 66.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.248 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.72 65.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.071 0.462 . . . . 0.0 110.251 175.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.438 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 14.1 t60 -91.93 -28.94 16.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.593 174.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.51 -54.62 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.551 175.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.97 -21.11 64.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.121 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.438 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 26.2 t80 -66.42 -33.85 76.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.227 175.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.712 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -69.03 -17.64 63.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.664 175.831 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.54 -27.67 17.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.608 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.88 -19.32 52.2 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 111.218 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.712 HD12 ' HE3' ' A' ' 58' ' ' LYS . 3.0 mt -57.94 -54.9 50.69 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -177.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 14.8 Cg_endo -57.22 -30.07 85.98 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.084 1.856 . . . . 0.0 112.772 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -73.92 -50.1 21.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.243 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.407 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -68.18 -33.32 74.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.114 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.74 -41.62 95.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.107 0.48 . . . . 0.0 110.08 177.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -43.75 91.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.618 178.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.63 -41.21 85.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.244 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.497 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -63.0 -34.96 78.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.583 0.23 . . . . 0.0 110.918 -178.164 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.74 -32.3 31.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.735 0.302 . . . . 0.0 110.505 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.67 -21.75 61.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.414 0.626 . . . . 0.0 110.53 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.634 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -82.83 -38.57 14.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.744 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mt -65.44 -32.36 73.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.675 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -64.14 -45.86 86.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.689 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.05 -40.08 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.295 0.569 . . . . 0.0 110.525 176.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.491 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -75.66 -13.64 60.33 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -178.749 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -64.16 -44.7 91.31 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -35.03 44.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.444 0.64 . . . . 0.0 109.844 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.676 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -80.93 -0.12 37.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.775 -175.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.642 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -122.25 -35.6 3.1 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 176.854 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -27.15 65.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.835 0.35 . . . . 0.0 111.42 -175.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pp -71.88 -31.07 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.292 0.568 . . . . 0.0 110.394 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.45 -16.06 35.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.842 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 10.5 mm-40 . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.336 178.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.594 ' CD2' HD13 ' A' ' 15' ' ' LEU . 3.9 m-85 . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.668 0.271 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.654 ' HB ' ' HA ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -120.39 88.52 2.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.049 0.452 . . . . 0.0 110.803 -174.087 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.4 m -54.61 -33.94 61.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.306 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -51.61 125.55 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.87 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.674 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -99.03 159.26 30.66 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.557 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.674 ' HD2' HG22 ' A' ' 99' ' ' THR . 11.5 Cg_endo -54.94 -42.66 66.86 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.219 2.613 . . . . 0.0 112.445 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -68.08 -36.64 80.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.991 0.425 . . . . 0.0 110.175 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -63.09 -38.08 81.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.474 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.465 ' O ' ' HE1' ' A' ' 28' ' ' MET . 0.3 OUTLIER -83.28 -34.9 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.212 -179.674 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.497 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 1.3 t-20 -70.49 -51.49 28.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.594 0.235 . . . . 0.0 111.27 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.9 m -67.33 -23.96 65.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 111.132 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.519 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 2.4 mttt -70.83 -42.19 70.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 0.0 110.027 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -58.39 -41.95 86.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.972 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.4 -41.03 93.0 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.428 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.455 ' O ' HD12 ' A' ' 113' ' ' LEU . 19.7 mttm -66.22 -28.54 68.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.769 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 114' ' ' VAL . 2.2 t -72.48 -45.16 60.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.135 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.433 ' NE2' HD13 ' A' ' 61' ' ' LEU . 32.0 mm-40 -62.37 -43.71 98.17 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.131 -176.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -22.63 67.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.579 -176.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.5 mt -89.48 -12.89 38.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 110' ' ' VAL . 99.5 t -65.86 -56.54 17.17 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 119.05 -0.5 . . . . 0.0 112.191 -175.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.91 -32.38 55.0 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.016 1.811 . . . . 0.0 112.258 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.2 -46.62 76.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.192 0.52 . . . . 0.0 110.051 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 117' ' ' ARG . 4.8 tpt180 -65.71 -37.67 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.415 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -36.98 66.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 175.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -78.95 -39.9 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.87 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.2 86.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.087 0.47 . . . . 0.0 110.57 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.614 ' HB3' HG12 ' A' ' 51' ' ' ILE . 12.8 mt -66.61 -46.42 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.709 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.797 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -64.32 -38.36 90.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.403 -179.122 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -42.82 86.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.036 0.446 . . . . 0.0 110.67 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.763 ' HG3' HD11 ' A' ' 47' ' ' ILE . 7.2 tp10 -71.07 -47.0 60.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.588 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.797 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.0 pt20 -67.02 -20.78 65.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.475 -176.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.1 m -80.73 -12.36 59.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.995 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -93.77 -8.98 39.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.316 0.579 . . . . 0.0 109.819 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -84.89 -132.02 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.464 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.468 HE21 HD12 ' A' ' 44' ' ' ILE . 4.8 pt20 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.244 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--O 1.231 0.121 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.44 78.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.239 0.542 . . . . 0.0 110.53 -175.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.618 HD13 HD11 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -93.62 -7.88 10.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.691 -177.797 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 2.9 t0 -80.54 -27.38 37.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -67.37 -34.54 77.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.101 171.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 77' ' ' GLU . 37.3 mt -69.34 -33.76 73.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.493 173.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 39.7 m170 -61.54 -39.07 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 174.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.682 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.84 -44.88 96.37 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.175 176.15 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.24 -32.85 74.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.593 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -70.63 -45.82 64.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.88 -23.95 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.615 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -22.13 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.486 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' HB3' HD11 ' A' ' 71' ' ' ILE . 4.4 mtm180 -105.43 -33.67 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.627 -176.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -74.79 -18.28 60.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.641 0.258 . . . . 0.0 110.33 177.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.85 -56.55 11.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.465 -177.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.458 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 36.6 Cg_endo -68.52 -28.42 32.02 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 121.515 1.477 . . . . 0.0 111.904 177.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CE1' ' HB1' ' A' ' 64' ' ' ALA . 2.4 t80 -66.72 -43.51 84.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.849 0.357 . . . . 0.0 110.103 177.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.3 t-20 -68.75 -30.21 68.78 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.31 0.576 . . . . 0.0 109.903 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 23' ' ' PRO . 3.9 m-80 -70.1 -38.07 75.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.474 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -66.71 -48.02 70.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.539 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 53.2 mtm -60.16 -41.99 93.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.198 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 4.7 mm-40 -70.98 -18.24 62.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.293 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 m -93.55 -41.91 9.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.016 0.436 . . . . 0.0 110.135 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.37 -56.09 5.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.765 -176.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.4 ttm -62.68 -35.19 78.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.652 -177.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -71.04 -39.81 72.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.453 -178.524 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -73.03 -37.34 66.95 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.66 -31.37 71.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -40.57 30.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.453 176.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.4 133.75 56.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.357 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.78 110.06 15.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 110.613 -177.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -69.04 129.76 40.83 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.16 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 tp -107.17 131.64 56.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.605 HG12 ' HG3' ' A' ' 46' ' ' GLU . 3.0 m -126.56 98.09 4.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.516 0.674 . . . . 0.0 110.243 -177.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -75.58 -22.62 56.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.28 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -134.29 155.05 50.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.738 -177.885 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -75.07 -21.66 16.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.084 0.469 . . . . 0.0 110.738 -177.379 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -59.49 -37.1 77.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.924 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.605 ' HG3' HG12 ' A' ' 41' ' ' VAL . 1.1 pt-20 -85.58 -10.35 56.02 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.466 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.755 ' O ' HG12 ' A' ' 51' ' ' ILE . 28.6 mt -69.96 -46.99 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -61.94 -30.74 71.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.199 0.523 . . . . 0.0 110.344 -178.463 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.32 -43.22 21.03 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD23 ' CG1' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -55.66 -44.37 77.18 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.543 0.337 . . . . 0.0 111.315 176.634 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.755 HG12 ' O ' ' A' ' 47' ' ' ILE . 9.0 mm -63.93 -47.03 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.729 0.3 . . . . 0.0 110.339 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -62.7 -30.42 71.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.03 71.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.047 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -88.13 -25.66 22.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 110.121 177.215 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.37 -53.52 42.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.278 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -67.28 -24.18 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.192 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.42 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 46.0 t80 -65.84 -37.96 87.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.825 178.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HD2' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.51 -11.37 60.77 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.701 176.318 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.99 -28.85 14.45 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.706 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -25.64 50.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.868 0.366 . . . . 0.0 110.795 173.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.6 mt -54.55 -57.31 19.4 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.63 -177.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 13.7 Cg_endo -57.01 -33.37 95.53 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.927 1.751 . . . . 0.0 112.415 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -69.84 -49.98 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.063 0.459 . . . . 0.0 110.462 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -71.23 -30.34 66.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.906 -179.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.21 -46.36 88.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.083 0.468 . . . . 0.0 110.623 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -69.42 -29.9 67.72 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.359 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.22 -38.16 87.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.569 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -32.58 72.38 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.251 0.548 . . . . 0.0 110.413 177.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -43.58 28.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.249 177.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.92 -21.24 64.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.89 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.64 -37.24 14.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.527 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 100' ' ' PRO . 1.5 mt -71.09 -20.91 62.29 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.424 174.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.67 -41.66 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.217 175.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 71' ' ' ILE . 31.3 mt -65.39 -45.24 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.14 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -20.6 64.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.567 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -78.37 -31.71 48.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.078 0.466 . . . . 0.0 110.173 -179.401 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.88 -7.92 57.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.928 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.549 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -111.37 -37.72 5.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.41 174.415 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -48.52 -45.08 36.74 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 121.459 0.647 . . . . 0.0 111.911 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.618 HD11 HD13 ' A' ' 10' ' ' ILE . 1.4 pp -51.25 -47.21 33.65 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.963 176.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.17 -22.45 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 111.067 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 10.2 mm-40 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.987 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.682 ' HE2' HD22 ' A' ' 15' ' ' LEU . 9.1 m-85 . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.522 HG23 HG13 ' A' ' 98' ' ' VAL . 1.1 m -128.79 96.38 4.36 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.1 m -80.71 68.28 6.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.545 0.688 . . . . 0.0 111.656 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.522 HG13 HG23 ' A' ' 96' ' ' THR . 1.4 m -125.98 152.58 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.898 174.089 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.524 ' HB ' ' HD2' ' A' ' 100' ' ' PRO . 23.0 p -110.06 167.52 8.97 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.607 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.532 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 17.1 Cg_endo -59.04 -24.69 74.68 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.505 2.137 . . . . 0.0 111.132 173.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -75.09 -49.01 21.04 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.714 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.419 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 4.4 mt -54.77 -49.31 69.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.01 -38.36 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.944 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.3 t-20 -83.36 -46.38 12.64 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.3 m -65.99 -35.49 80.73 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.302 -0.159 . . . . 0.0 111.096 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 9.8 mtpp -65.66 -39.75 91.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.539 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.8 t-105 -61.33 -44.22 97.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.472 175.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -42.64 98.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.548 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -64.73 -38.1 89.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.635 178.277 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 114' ' ' VAL . 3.2 t -58.83 -49.12 84.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.982 176.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 79.4 mm-40 -60.92 -45.51 94.35 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.007 -176.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.8 pt20 -69.45 -22.58 63.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -175.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -8.45 56.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.186 0.517 . . . . 0.0 110.774 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 110' ' ' VAL . 55.0 t -67.32 -56.7 12.2 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.726 -178.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 119' ' ' HIS . 35.4 Cg_endo -65.52 -29.34 52.96 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.924 1.749 . . . . 0.0 111.722 177.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -63.21 -48.86 76.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.203 0.525 . . . . 0.0 109.999 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -66.5 -42.69 87.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.618 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' HD12 ' A' ' 121' ' ' LEU . 19.2 t70 -61.12 -29.27 69.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.201 0.524 . . . . 0.0 110.641 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 115' ' ' PRO . 1.5 t-160 -76.87 -46.13 25.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.795 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.83 76.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.811 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.504 HD22 HD13 ' A' ' 51' ' ' ILE . 19.1 mt -61.04 -51.93 67.09 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.737 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.544 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.4 OUTLIER -67.03 -39.32 86.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.576 178.346 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -63.48 -39.32 94.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.761 179.276 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -51.83 54.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.954 178.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.544 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.4 pt20 -64.01 -23.82 67.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.49 -12.78 60.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 111.16 178.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 123' ' ' GLU . 17.8 mttm -92.38 -12.83 31.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.182 0.515 . . . . 0.0 109.873 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -102.65 -128.89 0.23 Allowed 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.788 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.135 -0.936 . . . . 0.0 109.828 -178.617 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 0.7 OUTLIER . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 120.699 0.285 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.46 82.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.104 0.478 . . . . 0.0 110.184 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.669 HG21 HG21 ' A' ' 81' ' ' ILE . 1.3 pp -81.81 -16.32 12.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.695 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.4 t70 -79.82 -26.5 40.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 21.3 mm-40 -74.5 -11.25 60.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.733 176.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -107.91 -5.05 17.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.148 0.499 . . . . 0.0 109.843 169.824 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.532 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -60.97 -36.39 79.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.218 174.213 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.887 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -80.25 -19.62 46.4 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.87 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.1 tp10 -64.82 -42.74 94.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.843 175.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -60.45 -44.82 95.46 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 173.311 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.537 ' HB2' HG23 ' A' ' 96' ' ' THR . . . -70.52 -18.97 62.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.643 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -33.68 40.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.811 0.338 . . . . 0.0 110.608 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HD2' ' OE2' ' A' ' 16' ' ' GLU . 3.8 mtp180 -89.26 -32.29 17.46 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.678 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -68.88 -20.11 64.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.494 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.11 -59.51 8.6 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.428 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 41.3 Cg_endo -68.61 -25.2 34.73 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 121.685 1.59 . . . . 0.0 111.977 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.59 -40.58 69.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 110.324 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.9 t-20 -72.3 -27.96 62.79 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.39 0.614 . . . . 0.0 109.725 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -67.92 -42.1 81.57 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.19 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -68.35 -52.1 36.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.254 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.559 ' HE1' HG13 ' A' ' 103' ' ' ILE . 21.3 mtm -56.25 -44.8 80.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.348 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -65.95 -44.37 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.955 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -70.96 -39.27 72.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.73 0.3 . . . . 0.0 110.722 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.05 -45.82 66.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.942 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.493 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 12.7 ttm -62.2 -34.82 77.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.448 . . . . 0.0 110.334 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -72.23 -46.29 56.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.379 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -66.26 -38.86 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.01 0.433 . . . . 0.0 110.064 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 4.4 mp -72.21 -18.3 61.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.881 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -92.36 -38.94 11.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.427 -179.408 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -83.6 162.8 20.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.12 -175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.72 118.65 24.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.072 -176.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -70.23 144.88 51.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.791 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 40' ' ' ILE . 10.6 tp -109.81 131.34 61.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.403 0.62 . . . . 0.0 110.577 177.153 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.466 HG12 HD23 ' A' ' 50' ' ' LEU . 25.6 m -127.36 160.98 35.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.655 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -122.42 -40.77 2.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.092 0.472 . . . . 0.0 109.929 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -125.52 165.9 17.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.174 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -65.22 -26.26 39.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 121.063 0.458 . . . . 0.0 110.243 177.887 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' N ' HG13 ' A' ' 44' ' ' ILE . 12.5 mt-10 -62.83 -44.23 96.7 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.998 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -72.04 -32.85 67.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.773 0.32 . . . . 0.0 110.311 176.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.576 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -63.6 -35.9 74.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.951 178.676 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.89 -35.21 62.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.895 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.9 -32.44 73.62 Favored Glycine 0 CA--C 1.51 -0.262 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -59.06 -42.88 91.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.027 -0.587 . . . . 0.0 109.994 172.138 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.0 mm -66.29 -41.8 89.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.556 176.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 m -58.01 -40.38 80.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.874 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.475 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . . . -65.04 -25.64 67.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.914 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -85.09 -29.07 25.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.619 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.11 -49.75 59.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' HA ' ' A' ' 53' ' ' ALA . 2.7 pt20 -65.85 -22.93 66.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.209 0.528 . . . . 0.0 110.186 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 29.4 t80 -65.99 -38.05 87.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.495 174.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -74.1 -10.28 59.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 176.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m -89.92 -35.8 15.38 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.307 0.575 . . . . 0.0 109.714 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.9 m -78.65 -22.87 46.23 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.793 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -59.03 11.29 Favored Pre-proline 0 C--O 1.22 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.031 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.98 -29.29 75.54 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.051 1.834 . . . . 0.0 112.258 -178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -49.78 39.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.284 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.72 -26.31 61.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.472 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -60.25 -47.5 85.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.909 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -64.23 -37.59 88.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.116 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -62.21 -31.5 72.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.605 -179.068 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.486 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -61.48 -34.42 75.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.86 0.362 . . . . 0.0 110.736 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -24.57 18.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.38 178.302 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' A' ' 67' ' ' GLU . . . -69.87 -8.15 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 110.504 175.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.26 -39.83 11.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.162 -0.926 . . . . 0.0 108.782 176.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.59 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -71.19 -22.65 62.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.018 173.627 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.75 -41.57 64.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.26 -39.54 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.703 0.764 . . . . 0.0 109.86 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.553 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 11.7 t-160 -58.1 -37.62 74.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.456 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 72' ' ' LEU . 1.1 mmmp? -55.03 -43.08 73.4 Favored 'General case' 0 C--N 1.311 -1.106 0 O-C-N 123.776 0.673 . . . . 0.0 110.794 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -36.33 73.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 110.428 -177.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.3 -12.68 42.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.564 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -94.99 -36.58 11.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.008 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -65.57 -24.94 67.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.669 HG21 HG21 ' A' ' 10' ' ' ILE . 2.3 pp -71.97 -31.76 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.824 0.345 . . . . 0.0 110.651 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.23 -16.78 48.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.38 0.61 . . . . 0.0 110.209 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.378 176.749 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.097 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.537 HG23 ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -83.5 71.78 10.3 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.416 -178.267 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.92 42.92 0.66 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 122.541 1.162 . . . . 0.0 110.618 175.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.573 HG21 HD12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -137.95 106.78 4.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 CA-C-N 113.891 -1.504 . . . . 0.0 109.774 -178.168 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.593 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -80.49 154.05 73.85 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.593 ' HD2' HG22 ' A' ' 99' ' ' THR . 9.5 Cg_endo -53.35 -39.6 80.87 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.888 2.392 . . . . 0.0 112.208 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -70.03 -34.21 72.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.246 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.89 -44.18 96.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.346 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.573 HD12 HG21 ' A' ' 98' ' ' VAL . 1.9 tt -76.81 -36.58 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 111.432 -177.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.486 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 0.6 OUTLIER -75.47 -45.91 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.732 0.301 . . . . 0.0 111.136 -176.798 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 39.9 m -69.82 -23.91 63.38 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.161 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -74.97 -38.34 61.69 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -59.81 -42.67 93.97 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 171.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -34.31 76.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.72 178.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -66.82 -38.76 87.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.97 0.414 . . . . 0.0 110.143 175.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 114' ' ' VAL . 54.6 t -61.88 -45.25 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.162 175.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -20.72 66.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.154 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -27.86 27.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 3.2 mt -92.34 -17.57 24.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.657 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 16.0 t -56.46 -54.17 56.21 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.228 176.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.657 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 23.7 Cg_exo -65.83 -25.31 53.17 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.494 2.13 . . . . 0.0 112.169 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -54.02 35.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 109.656 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -31.52 70.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.535 177.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.512 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 0.2 OUTLIER -61.9 -33.96 75.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.272 0.558 . . . . 0.0 109.794 178.563 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -87.59 -39.82 14.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.444 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.38 -35.57 77.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.507 177.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 50' ' ' LEU . 21.4 mt -71.15 -51.23 26.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.733 177.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -57.18 -45.26 83.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.749 -179.599 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -31.51 72.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.812 0.339 . . . . 0.0 111.076 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 127' ' ' LYS . 15.9 tp10 -83.8 -48.18 10.35 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.057 -178.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.413 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.7 OUTLIER -63.29 -24.64 67.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.706 -175.809 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.6 m -87.13 -2.71 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.318 . . . . 0.0 111.439 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 124' ' ' GLU . 0.5 OUTLIER -105.18 -5.13 20.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.216 0.531 . . . . 0.0 110.176 176.215 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.461 ' HB3' HG22 ' A' ' 44' ' ' ILE . 2.6 mt-30 -100.71 -47.82 4.71 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.658 0.742 . . . . 0.0 110.447 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.305 -1.353 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.054 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.899 -0.48 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.34 119.57 11.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.809 0.338 . . . . 0.0 110.829 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.633 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -54.96 -38.79 68.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.922 -177.745 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 1.8 mp0 -53.91 -32.81 54.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 112.038 -175.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -84.38 -29.92 25.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.072 0.463 . . . . 0.0 110.042 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.599 ' O ' HG12 ' A' ' 10' ' ' ILE . 2.2 mm-40 -76.32 -19.87 57.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.327 178.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 3' ' ' THR . 6.9 mt -92.01 -40.25 11.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.935 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.536 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 6.8 tt0 -61.96 -41.7 98.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.26 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 -25.77 62.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.043 0.449 . . . . 0.0 111.051 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.719 HG21 HG12 ' A' ' 81' ' ' ILE . 1.1 pt -101.75 -6.02 9.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.203 0.525 . . . . 0.0 110.942 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 1.1 t0 -77.43 -31.02 53.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.362 0.601 . . . . 0.0 109.687 176.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 62.4 mm-40 -68.47 -20.64 64.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.82 172.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.89 HD13 ' HB3' ' A' ' 77' ' ' GLU . 26.8 mt -82.6 -36.42 26.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -59.42 -31.14 69.0 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 171.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.64 HD23 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -60.12 -47.77 84.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.983 178.341 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.78 -28.75 62.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.501 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 2.6 t80 -67.12 -47.54 70.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -29.14 69.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -32.61 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.473 -177.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -98.95 -31.24 11.92 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.55 -177.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.2 -20.67 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.655 0.264 . . . . 0.0 110.575 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.455 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.41 -58.42 10.37 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.81 -176.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.455 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 39.9 Cg_endo -68.16 -31.03 30.42 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.443 1.428 . . . . 0.0 111.567 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.466 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.2 t80 -66.67 -40.48 88.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.702 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -69.67 -28.13 65.61 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.411 0.624 . . . . 0.0 110.075 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.9 -40.24 48.1 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.307 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -64.63 -51.19 63.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.239 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.526 ' O ' ' HB2' ' A' ' 32' ' ' MET . 25.6 mtm -58.29 -39.93 80.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.788 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.26 -51.7 49.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.057 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -60.84 -41.13 95.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.147 0.499 . . . . 0.0 110.64 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.34 75.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.833 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.526 ' HB2' ' O ' ' A' ' 28' ' ' MET . 7.1 ttm -62.91 -35.82 81.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.444 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.96 -47.96 78.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.422 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -72.28 -34.65 68.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.357 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.17 -30.89 63.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.811 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -70.1 -44.5 68.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.53 178.549 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -70.22 135.32 48.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.906 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 6.6 tpt -74.16 120.82 20.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.909 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -72.89 138.91 46.51 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.693 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.4 tp -117.28 131.84 68.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.953 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.921 HG21 HG12 ' A' ' 47' ' ' ILE . 4.4 m -125.34 152.99 32.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.376 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -107.7 -65.52 1.1 Allowed 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.698 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -98.04 168.1 10.49 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.214 -174.282 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -37.75 80.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.137 -176.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.698 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 1.4 mp0 -54.79 -33.1 61.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.703 177.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -79.46 -30.86 42.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.922 0.391 . . . . 0.0 110.553 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.921 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -70.05 -34.16 58.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.187 -179.65 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 1.5 pt-20 -81.45 -35.66 30.31 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.36 -34.78 90.3 Favored Glycine 0 C--N 1.328 0.125 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.748 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.98 -37.8 86.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.347 0.594 . . . . 0.0 110.189 175.339 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 47' ' ' ILE . 12.9 mt -69.16 -37.48 76.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.839 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 m -59.56 -30.97 69.01 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.953 0.406 . . . . 0.0 110.919 174.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.82 -22.81 65.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.24 0.543 . . . . 0.0 110.607 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.81 -26.83 19.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.799 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.91 -56.24 23.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.673 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -67.27 -18.64 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.717 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -74.7 -40.15 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.37 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.64 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.63 -14.92 63.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.653 178.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.83 -30.86 12.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.907 0.384 . . . . 0.0 110.649 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -27.82 32.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.64 HD12 ' HE3' ' A' ' 58' ' ' LYS . 2.2 mt -54.53 -57.62 17.94 Favored Pre-proline 0 C--O 1.222 -0.388 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.004 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 18.8 Cg_endo -58.78 -27.92 85.28 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.861 1.707 . . . . 0.0 112.48 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -78.04 -48.67 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.427 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 67' ' ' GLU . . . -69.94 -24.31 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.366 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.85 -47.81 81.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.101 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -68.44 -29.21 67.81 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.122 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HG3' HD12 ' A' ' 71' ' ' ILE . 3.4 tp10 -60.81 -43.44 98.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.558 176.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -62.05 -37.18 84.0 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.985 0.421 . . . . 0.0 110.524 178.601 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -72.53 -35.04 67.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.464 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.32 -17.35 61.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.156 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.424 HD12 ' HG3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -83.3 -37.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.4 mt -70.12 -26.78 64.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.242 172.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.454 ' O ' ' HE3' ' A' ' 76' ' ' LYS . . . -67.44 -19.29 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.892 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.8 mt -88.9 -38.09 10.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.701 0.762 . . . . 0.0 109.626 173.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.457 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -70.22 -24.56 63.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.795 -176.815 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HE3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -63.93 -34.43 77.95 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.894 0.378 . . . . 0.0 110.754 -178.676 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.89 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -77.62 -34.85 53.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.013 0.435 . . . . 0.0 110.543 179.069 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.488 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -87.43 -14.67 39.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.101 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 3.0 tp60 -99.71 -31.25 11.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.166 -0.334 . . . . 0.0 111.698 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -63.18 -26.07 68.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.938 -172.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.719 HG12 HG21 ' A' ' 10' ' ' ILE . 2.4 pp -70.85 -33.01 50.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 0.0 110.36 176.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.457 ' HA ' HG12 ' A' ' 87' ' ' ILE . . . -78.5 -23.36 46.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.275 0.56 . . . . 0.0 110.594 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 18.3 mm-40 -88.13 -9.19 53.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.191 -178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.0 p -116.53 -28.11 6.53 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.888 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -121.23 146.2 47.05 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.22 68.18 5.13 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.022 0.439 . . . . 0.0 110.592 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.46 ' CD1' ' HG ' ' A' ' 89' ' ' LEU . 1.1 pp -85.15 168.44 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.277 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.31 83.05 2.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.057 0.456 . . . . 0.0 110.886 -177.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 87' ' ' ILE . 8.7 mt -73.55 141.52 46.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.119 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.07 61.99 6.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.035 0.445 . . . . 0.0 110.603 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.84 -140.85 15.1 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.137 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -48.8 11.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.756 0.313 . . . . 0.0 111.231 -178.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -160.41 146.08 11.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.103 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -80.39 -31.39 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.908 2.405 . . . . 0.0 113.51 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.64 ' CE2' HD23 ' A' ' 15' ' ' LEU . 18.6 m-85 -105.67 -41.68 5.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.697 0.284 . . . . 0.0 111.592 -172.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.0 t -128.1 114.55 17.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.195 0.521 . . . . 0.0 110.532 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.87 68.76 6.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.5 0.667 . . . . 0.0 112.084 -174.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.06 126.58 56.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.193 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.64 153.04 43.91 Favored Pre-proline 0 C--N 1.316 -0.848 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.69 -40.93 38.6 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.509 2.139 . . . . 0.0 112.283 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -68.09 -41.44 81.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.275 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.1 mp -59.58 -39.01 78.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -80.18 -32.93 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.708 0.29 . . . . 0.0 111.198 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.474 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 1.6 t-20 -75.22 -48.95 21.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.931 0.396 . . . . 0.0 111.021 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.3 m -67.52 -29.16 68.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.253 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 4.7 mttt -66.51 -40.53 89.26 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -61.66 -42.5 98.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.092 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.98 -32.47 73.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.773 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 2.8 mttt -68.22 -42.35 79.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.0 110.134 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 114' ' ' VAL . 49.0 t -59.86 -47.36 91.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.473 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -63.21 -40.89 98.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.723 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 2.6 pt20 -69.0 -24.16 64.18 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.563 -177.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mt -86.21 -14.13 44.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 111.008 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.709 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 72.9 t -59.95 -57.26 28.1 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.858 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.709 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 25.1 Cg_exo -63.43 -39.91 34.18 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.547 2.165 . . . . 0.0 112.289 -177.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -53.52 -48.06 69.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.165 0.507 . . . . 0.0 110.738 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 117' ' ' ARG . 0.8 OUTLIER -76.18 -37.09 58.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.809 -179.403 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.81 -29.76 70.74 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.292 0.567 . . . . 0.0 110.4 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -80.23 -47.37 14.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.577 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.48 87.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.893 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.481 ' HB3' HG12 ' A' ' 51' ' ' ILE . 18.6 mt -62.33 -52.32 64.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.774 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.0 OUTLIER -68.41 -33.56 74.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.639 -177.458 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.42 -44.15 79.48 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.334 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -43.13 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.774 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.6 OUTLIER -66.87 -26.8 67.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.003 -178.485 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.3 m -84.57 -8.89 58.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.968 0.413 . . . . 0.0 111.296 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.29 6.37 37.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.119 0.485 . . . . 0.0 110.107 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.43 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 25.1 mm-40 -83.37 -128.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.728 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.43 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 1.4 pt20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.383 -0.817 . . . . 0.0 110.046 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.33 87.26 7.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.197 0.522 . . . . 0.0 111.01 -177.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.0 m -124.54 -42.22 2.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.939 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.584 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.4 -33.21 60.96 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.073 -179.305 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 34.8 mmtm -80.71 -26.45 37.45 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.224 0.535 . . . . 0.0 109.66 -176.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -71.99 -28.04 63.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.547 174.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -91.5 -31.21 16.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.695 178.488 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -68.98 -31.88 71.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.92 0.39 . . . . 0.0 110.549 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.22 -39.77 65.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.307 0.575 . . . . 0.0 109.956 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.703 HD11 HD21 ' A' ' 89' ' ' LEU . 1.1 pt -84.34 -5.33 9.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.497 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.5 t0 -71.94 -24.35 61.61 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.523 ' HA ' HD23 ' A' ' 15' ' ' LEU . 47.0 mm-40 -73.22 -28.34 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.386 174.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -72.64 -34.36 67.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 170.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 33.5 m170 -62.19 -29.93 70.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.623 175.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.616 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -64.38 -44.9 89.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 175.622 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.85 -35.37 80.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.375 0.607 . . . . 0.0 110.088 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.683 ' HB3' HG21 ' A' ' 96' ' ' THR . 0.4 OUTLIER -68.83 -42.36 77.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.151 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' CA ' HG23 ' A' ' 96' ' ' THR . . . -75.39 -13.85 60.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.383 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -27.21 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 0.0 111.134 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.517 ' HB3' HD11 ' A' ' 71' ' ' ILE . 31.7 mtp85 -100.12 -42.06 6.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.759 0.314 . . . . 0.0 111.427 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -9.2 58.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.954 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -73.84 -55.53 3.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.639 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.782 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 19.6 Cg_exo -66.7 -30.14 42.11 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.739 1.626 . . . . 0.0 111.194 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.471 ' CE1' ' HB1' ' A' ' 64' ' ' ALA . 1.4 t80 -65.58 -42.69 91.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.537 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -72.03 -28.37 63.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.344 0.592 . . . . 0.0 109.93 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -73.55 -35.64 65.53 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.099 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -66.57 -50.64 62.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.607 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.7 mtt -55.59 -49.56 72.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.375 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -41.59 86.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.313 -177.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 m -78.71 -36.27 43.7 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.387 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.97 -52.18 9.83 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -175.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.537 ' HE2' ' HB3' ' A' ' 109' ' ' LYS . 0.7 OUTLIER -65.01 -36.81 85.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.837 0.351 . . . . 0.0 110.735 -176.266 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -41.18 86.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.237 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -68.43 -31.96 71.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.099 0.476 . . . . 0.0 110.26 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' HA ' ' NE ' ' A' ' 117' ' ' ARG . 3.6 mp -74.6 -36.84 63.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.858 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.83 -36.42 42.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.932 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -75.47 151.57 38.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.107 0.48 . . . . 0.0 111.452 -175.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.94 104.58 6.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.578 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -64.12 136.16 57.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.199 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.3 tp -104.35 132.5 50.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.348 0.594 . . . . 0.0 109.968 175.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -126.92 156.16 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.877 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -118.98 -52.19 2.32 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.64 159.02 26.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.598 -172.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.855 HG13 ' HA ' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -52.88 -37.44 25.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.945 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -43.38 84.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.715 0.293 . . . . 0.0 111.479 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.71 -34.35 67.06 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.265 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.702 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -65.61 -38.42 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.616 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.32 -35.97 76.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.944 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.41 -37.29 62.75 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.538 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -55.63 -45.46 77.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.029 -0.585 . . . . 0.0 110.624 174.371 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.702 HG12 ' O ' ' A' ' 47' ' ' ILE . 1.4 mm -68.81 -41.03 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.627 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.6 m -59.76 -45.01 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.28 69.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.797 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.432 ' O ' ' HB3' ' A' ' 57' ' ' PHE . 1.9 t60 -75.85 -32.74 59.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.543 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.29 -41.35 61.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.393 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -64.94 -30.17 71.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.402 0.62 . . . . 0.0 109.617 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 31.9 t80 -61.52 -38.1 86.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.572 174.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.687 ' HE3' HD12 ' A' ' 61' ' ' LEU . 4.8 mmmm -70.68 -12.67 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.292 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.433 ' O ' ' HD2' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -96.71 -31.83 12.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.214 0.53 . . . . 0.0 110.073 177.56 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -76.86 -24.66 52.63 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.334 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.687 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.0 OUTLIER -56.4 -55.55 41.21 Favored Pre-proline 0 C--O 1.222 -0.37 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.811 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 52.3 Cg_exo -56.77 -35.94 98.26 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.055 1.836 . . . . 0.0 112.539 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -70.24 -46.37 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.123 0.487 . . . . 0.0 110.801 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.471 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -71.32 -30.21 65.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.641 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.484 ' O ' ' HD2' ' A' ' 68' ' ' ARG . 2.9 t70 -61.03 -46.18 91.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.958 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -41.26 94.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.492 177.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' A' ' 20' ' ' ARG . 42.0 mm-40 -60.53 -41.79 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.852 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HD2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -57.89 -41.09 81.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.99 -179.057 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -39.82 61.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.891 0.377 . . . . 0.0 110.605 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.34 -15.01 63.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.247 0.546 . . . . 0.0 111.047 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.556 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -91.28 -36.24 7.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -68.0 -28.25 67.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.402 173.542 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.72 85.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.769 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 71' ' ' ILE . 18.5 mt -65.67 -42.58 92.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.445 0.641 . . . . 0.0 110.309 177.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -71.85 -15.92 62.14 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.913 -179.036 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -40.52 71.72 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -74.74 -37.71 62.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.191 0.52 . . . . 0.0 109.608 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.51 -5.78 55.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.404 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 2.4 tp60 -104.27 -41.32 5.82 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.217 175.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 ptt85 -61.06 -22.98 65.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.309 . . . . 0.0 111.05 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.413 HG21 HG21 ' A' ' 10' ' ' ILE . 1.5 pp -63.89 -45.07 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.019 0.438 . . . . 0.0 110.084 175.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.44 -19.95 44.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.225 0.536 . . . . 0.0 110.5 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -73.57 -38.53 65.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.265 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.0 m -77.53 -47.67 18.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.924 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.36 130.69 51.26 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -73.95 72.55 1.62 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.223 0.535 . . . . 0.0 111.673 -174.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.674 HD11 ' HG ' ' A' ' 89' ' ' LEU . 1.1 pt -77.96 178.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.953 173.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.01 76.71 1.11 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.248 0.547 . . . . 0.0 111.906 -173.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.703 HD21 HD11 ' A' ' 10' ' ' ILE . 10.7 mt -83.09 -46.38 12.87 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.08 172.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 m 53.13 -119.03 1.43 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.445 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.62 23.18 3.44 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.552 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.461 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 2.5 m -86.39 60.18 6.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 111.535 -176.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.83 104.22 6.29 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.719 177.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 92' ' ' SER . 56.8 Cg_endo -75.54 -47.25 0.19 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.812 2.341 . . . . 0.0 113.629 -171.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.616 ' CD2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -93.93 -49.66 5.7 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.486 0.66 . . . . 0.0 109.322 -179.557 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.683 HG21 ' HB3' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -86.61 75.06 9.75 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.87 -177.398 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.54 51.37 2.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.073 0.939 . . . . 0.0 110.787 174.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.508 HG23 HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -135.6 96.35 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 114.145 -1.389 . . . . 0.0 110.055 -178.39 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.681 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -75.7 154.56 85.36 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.543 -178.143 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.681 ' HD2' HG22 ' A' ' 99' ' ' THR . 9.2 Cg_endo -52.36 -40.67 70.16 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.99 2.46 . . . . 0.0 112.802 -178.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -68.21 -42.13 80.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.976 0.417 . . . . 0.0 110.08 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.662 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -57.77 -34.75 48.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.047 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.4 -31.66 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.425 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -75.65 -51.94 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.608 0.242 . . . . 0.0 111.246 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 m -67.21 -31.15 71.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.884 0.373 . . . . 0.0 110.593 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.662 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -63.94 -43.35 96.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 174.774 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -62.51 -40.94 98.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.613 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -39.56 90.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.074 0.464 . . . . 0.0 110.456 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 5.2 ttmt -66.35 -40.91 90.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.401 176.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 114' ' ' VAL . 54.6 t -57.03 -46.25 84.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 110.438 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -59.28 -45.13 92.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.453 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.5 pt20 -74.92 -20.05 59.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.263 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.419 ' HB3' HD23 ' A' ' 35' ' ' LEU . 3.7 mt -84.64 -14.53 48.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.603 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.445 HG11 ' HD3' ' A' ' 58' ' ' LYS . 37.9 t -62.22 -58.5 17.16 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.486 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.84 -26.21 44.91 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.129 1.886 . . . . 0.0 112.06 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.518 ' HD3' ' HA ' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -68.9 -51.76 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.22 178.238 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -65.33 -33.04 75.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.941 176.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.13 -31.91 73.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.057 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.38 -45.77 52.9 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.103 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.38 71.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 50' ' ' LEU . 21.3 mt -67.74 -48.95 64.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.807 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 1.015 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -66.35 -30.04 70.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.728 -179.24 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -46.5 87.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.593 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -79.54 -38.61 33.81 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.355 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 1.015 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.4 pt20 -63.37 -27.7 69.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.587 0.232 . . . . 0.0 111.466 -178.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 14.7 m -78.83 -7.82 58.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.384 0.611 . . . . 0.0 110.587 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -111.43 -5.41 14.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.686 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -131.6 85.91 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.193 -175.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.855 ' HA ' HG13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.21 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.111 176.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.829 -0.508 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m 60.7 21.95 11.89 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.001 0.52 . . . . 0.0 111.297 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.85 -18.99 59.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.034 -177.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.628 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 1.3 pm0 -66.55 -12.55 58.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.824 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.53 -33.78 14.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' O ' HG12 ' A' ' 10' ' ' ILE . 5.2 mm100 -69.28 -37.9 78.08 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.276 177.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.604 ' CD2' ' HA ' ' A' ' 4' ' ' GLU . 1.1 pp -80.69 -34.44 34.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.134 -177.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.628 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -77.33 -32.78 55.42 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.099 -0.241 . . . . 0.0 111.16 -177.26 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.0 86.73 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.613 0.721 . . . . 0.0 109.316 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.576 HG21 HG12 ' A' ' 81' ' ' ILE . 1.1 pt -89.24 -7.37 10.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.801 178.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -77.05 -32.4 56.89 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.432 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.508 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 71.1 mm-40 -69.22 -21.32 63.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.873 171.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.5 mt -79.35 -39.27 33.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.42 ' CE1' HD12 ' A' ' 10' ' ' ILE . 48.3 m170 -59.65 -30.36 68.69 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 171.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.601 HD23 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -61.44 -52.39 64.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.687 177.225 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -28.27 67.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.409 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.432 ' HE2' ' CB ' ' A' ' 75' ' ' HIS . 1.7 t80 -67.67 -45.46 75.15 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.3 -14.18 61.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.476 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 -8.3 24.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.545 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 20' ' ' ARG . 1.1 mtt-85 -118.3 -41.7 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.374 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.34 -11.89 60.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.724 0.297 . . . . 0.0 110.631 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -73.63 -58.1 2.37 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.961 -177.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 33.0 Cg_endo -66.08 -29.11 48.59 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.504 1.47 . . . . 0.0 111.106 175.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.484 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.6 t80 -67.85 -41.7 82.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.407 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.702 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.4 t-20 -68.99 -31.33 70.1 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -68.85 -37.37 79.07 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.111 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -69.35 -46.9 65.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.776 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.69 ' HB3' ' HE3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -55.28 -29.82 58.92 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.009 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.702 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 4.8 mm-40 -72.72 -64.1 1.03 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.598 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -39.93 93.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.831 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.73 -53.89 10.43 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -39.65 94.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.13 -175.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -37.65 85.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.338 -178.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.45 -35.71 70.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 109.958 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -40.85 88.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.029 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.54 -15.34 43.02 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.355 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.6 150.11 34.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.937 0.398 . . . . 0.0 110.956 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.5 mtm -87.62 105.6 17.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.765 177.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -64.75 141.09 58.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.802 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 40' ' ' ILE . 8.2 tp -120.66 134.75 63.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.668 172.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.848 HG21 HG12 ' A' ' 47' ' ' ILE . 17.2 m -124.68 155.94 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.926 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -115.83 -53.29 2.58 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.252 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.3 p -102.21 166.06 10.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.888 ' HB ' ' HA ' ' A' ' 129' ' ' GLN . 0.6 OUTLIER -67.82 -21.31 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.267 0.556 . . . . 0.0 109.92 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.15 -50.66 69.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.965 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.25 -31.75 73.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.0 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.848 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -65.73 -34.02 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.255 -179.75 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -80.57 -31.4 36.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.05 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.64 -41.27 75.83 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -58.1 -44.77 87.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.327 0.584 . . . . 0.0 110.531 176.467 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.419 HG12 ' HB3' ' A' ' 121' ' ' LEU . 70.1 mt -73.89 -35.28 42.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.336 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -60.06 -41.08 91.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.971 0.415 . . . . 0.0 110.017 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.15 -33.08 74.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.82 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' PHE . 1.1 t60 -71.78 -38.25 70.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.603 178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.74 -51.33 62.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.538 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -63.52 -25.51 68.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.408 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 34.8 t80 -60.81 -36.79 79.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.226 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.681 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -72.15 -11.5 60.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.012 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.29 -30.72 13.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.295 0.569 . . . . 0.0 110.253 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.29 -25.16 54.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.959 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.681 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.5 mt -57.35 -56.13 37.12 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.143 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 18.2 Cg_endo -59.08 -31.0 94.75 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.909 1.74 . . . . 0.0 112.582 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -72.53 -48.65 38.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.3 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -72.39 -29.1 63.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.17 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.451 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 16.2 t0 -64.15 -47.04 81.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.146 0.498 . . . . 0.0 110.24 177.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -33.08 75.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.09 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -63.44 -45.07 92.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.509 176.596 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -61.19 -42.64 98.94 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.931 0.396 . . . . 0.0 110.41 178.735 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -65.42 -37.74 87.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.55 -20.12 60.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.254 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -84.65 -37.42 12.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 72' ' ' LEU . 9.8 mt -67.88 -28.73 67.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.062 172.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.53 -36.88 79.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.42 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.4 mt -67.76 -43.79 86.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.995 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.432 ' CB ' ' HE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -74.31 -13.17 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.287 -177.508 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 11.6 mttt -58.73 -49.32 78.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.704 0.288 . . . . 0.0 110.879 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -80.68 -29.44 36.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.417 0.627 . . . . 0.0 109.743 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.497 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -75.58 -21.02 58.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.444 -177.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -98.97 -32.73 11.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.709 0.29 . . . . 0.0 111.043 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -62.42 -31.38 72.06 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -173.461 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.576 HG12 HG21 ' A' ' 10' ' ' ILE . 2.4 pp -66.46 -33.41 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.229 0.537 . . . . 0.0 110.236 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.02 -25.67 29.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.692 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -75.24 -33.38 61.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.338 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.3 m -73.8 -32.67 63.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.373 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.554 ' HB3' HG23 ' A' ' 87' ' ' ILE . 57.8 m-80 -98.64 -152.38 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.44 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -142.51 38.85 1.53 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.512 0.672 . . . . 0.0 109.189 166.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.554 HG23 ' HB3' ' A' ' 85' ' ' ASN . 3.1 pt -84.03 177.65 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.888 -173.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.19 89.5 3.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.681 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -40.74 100.47 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.843 -177.554 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.49 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 0.7 OUTLIER 48.35 40.92 15.53 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 123.939 0.774 . . . . 0.0 111.498 179.57 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.73 -105.99 2.9 Favored Glycine 0 N--CA 1.446 -0.633 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.9 52.7 1.75 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' ' 96' ' ' THR . 2.0 t-20 71.36 119.12 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.015 -174.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 90' ' ' SER . 49.5 Cg_endo -84.04 -22.48 3.45 Favored 'Trans proline' 0 C--N 1.332 -0.339 0 C-N-CA 123.046 2.497 . . . . 0.0 113.808 -170.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.601 ' CE2' HD23 ' A' ' 15' ' ' LEU . 10.6 m-85 -113.7 -46.4 3.04 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.395 -171.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' A' ' 93' ' ' ASN . 10.6 t -128.81 142.08 51.09 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.018 -175.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.2 m -108.46 67.54 0.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.39 0.614 . . . . 0.0 111.2 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.89 109.48 12.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.603 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.406 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -80.35 158.4 71.73 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.249 177.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' A' ' 99' ' ' THR . 12.4 Cg_endo -56.04 -37.1 96.73 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.608 2.206 . . . . 0.0 111.748 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.53 -38.82 74.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.504 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -40.91 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.4 -36.51 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -177.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -76.04 -40.26 53.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.574 0.226 . . . . 0.0 111.521 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 m -75.45 -29.86 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.988 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.69 ' HE3' ' HB3' ' A' ' 28' ' ' MET . 0.2 OUTLIER -66.11 -44.13 85.21 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.014 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.451 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 64.7 t-105 -57.83 -42.58 84.64 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.407 176.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.508 ' HB3' ' HE2' ' A' ' 109' ' ' LYS . 1.6 tm-20 -53.05 -42.89 66.22 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.533 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.508 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 3.0 mmtt -77.27 -33.96 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.737 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 106' ' ' LYS . 41.9 t -56.8 -47.85 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.629 177.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -59.53 -41.58 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.773 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 6.4 pt20 -82.09 -12.43 58.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.604 -174.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.4 mt -88.95 -15.81 33.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.978 0.418 . . . . 0.0 110.94 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.83 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 64.1 t -60.6 -59.24 14.48 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.297 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.83 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 31.7 Cg_exo -62.05 -35.63 75.12 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.535 2.157 . . . . 0.0 112.645 -178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -58.78 -50.65 73.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.114 0.483 . . . . 0.0 110.199 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -70.85 -30.98 67.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.593 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -35.77 80.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.545 0.688 . . . . 0.0 109.981 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -72.65 -44.33 62.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.186 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.83 87.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.799 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.419 ' HB3' HG12 ' A' ' 51' ' ' ILE . 16.8 mt -65.55 -51.69 58.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.414 -176.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.645 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -63.21 -38.25 90.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.106 -178.099 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -40.65 95.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.869 0.366 . . . . 0.0 110.538 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.33 -52.99 15.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.645 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.7 OUTLIER -57.79 -27.0 62.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.761 -175.215 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.6 m -65.38 -33.7 76.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.788 0.328 . . . . 0.0 111.76 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.13 9.97 28.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.944 0.402 . . . . 0.0 110.093 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -132.25 24.46 4.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -174.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.888 ' HA ' ' HB ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.234 -0.888 . . . . 0.0 109.676 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.33 92.13 0.41 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.192 0.52 . . . . 0.0 111.004 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.663 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 3.8 m -150.79 -30.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.404 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.589 ' HA ' HD12 ' A' ' 7' ' ' LEU . 13.8 pm0 -61.76 -25.94 67.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.96 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.4 -29.57 33.89 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -176.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -71.18 -36.93 72.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.219 174.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 3' ' ' THR . 8.7 mt -74.43 -43.96 53.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.811 -177.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -33.57 63.16 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.572 -174.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.18 85.52 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.207 0.527 . . . . 0.0 109.901 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.601 ' HB ' ' HA ' ' A' ' 78' ' ' ALA . 1.2 pp -85.25 -13.74 11.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.579 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.9 t0 -75.19 -30.45 60.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.872 175.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -69.5 -30.22 68.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.641 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.52 -9.88 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 0.0 110.182 175.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -60.13 -28.95 68.31 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 171.609 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.7 OUTLIER -60.19 -39.93 88.24 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.925 177.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.79 -34.54 78.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.99 -45.73 80.56 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HA ' ' OG1' ' A' ' 96' ' ' THR . . . -71.77 -21.71 61.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.808 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.98 -23.27 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.098 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -105.17 -37.33 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.903 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -20.35 64.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.893 0.377 . . . . 0.0 110.176 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.34 -58.34 10.68 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.861 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 40.9 Cg_endo -68.12 -33.31 25.43 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.456 1.437 . . . . 0.0 111.753 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.92 -41.77 97.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.721 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -72.06 -24.29 61.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.304 0.574 . . . . 0.0 110.099 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -72.39 -41.48 66.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.99 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -65.53 -47.06 77.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.104 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.628 ' HE2' ' HE3' ' A' ' 107' ' ' TRP . 1.8 mmt -54.77 -38.2 66.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.302 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -53.1 44.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.7 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -41.71 81.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.882 0.372 . . . . 0.0 111.114 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.02 -52.87 24.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.577 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.503 ' HE2' ' HB2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -61.03 -36.72 80.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.727 0.299 . . . . 0.0 110.77 -177.136 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.91 -46.05 83.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.594 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -73.54 -31.11 63.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.398 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -58.08 -29.97 65.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.349 -175.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.428 ' H ' ' HG2' ' A' ' 36' ' ' GLN . 1.9 pt20 -101.91 -11.99 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.876 0.37 . . . . 0.0 111.582 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.26 152.1 24.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.989 0.423 . . . . 0.0 111.654 -172.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.77 111.12 19.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.298 0.571 . . . . 0.0 110.447 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 121' ' ' LEU . 26.4 p90 -69.53 139.87 53.85 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.067 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 tp -106.88 133.29 51.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.282 0.563 . . . . 0.0 110.237 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.61 HG12 HD23 ' A' ' 50' ' ' LEU . 23.5 m -118.22 161.09 17.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.715 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -120.46 -50.5 2.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.023 0.439 . . . . 0.0 110.601 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.491 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.8 OUTLIER -113.0 168.69 9.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.996 179.471 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -43.77 90.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.09 0.471 . . . . 0.0 110.627 177.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 52.9 mp0 -58.33 -33.36 69.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.191 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.99 -36.09 79.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.612 HG13 ' HG3' ' A' ' 128' ' ' GLN . 0.2 OUTLIER -67.11 -34.82 72.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.787 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.33 -32.56 49.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.962 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.79 -30.94 65.36 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.61 HD23 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -62.29 -40.04 94.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.207 173.589 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.636 HD13 HD22 ' A' ' 121' ' ' LEU . 6.8 mm -60.7 -41.82 89.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.076 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 m -60.74 -32.28 71.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.928 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.59 -7.37 43.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.202 0.525 . . . . 0.0 111.005 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.78 -42.04 5.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.65 -47.72 74.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.191 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -72.38 -21.43 61.29 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.132 0.491 . . . . 0.0 109.886 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -68.73 -37.79 79.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.91 -22.38 66.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.15 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -84.6 -29.0 26.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.076 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -19.35 47.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.035 0.445 . . . . 0.0 110.756 175.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.4 mt -57.69 -52.27 75.57 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.525 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 11.8 Cg_endo -55.77 -35.97 94.42 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.174 1.916 . . . . 0.0 112.883 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -77.61 -42.89 33.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.792 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.68 -33.9 73.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.975 0.417 . . . . 0.0 110.837 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 8.8 t70 -61.76 -38.23 87.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.317 0.58 . . . . 0.0 110.01 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.2 -45.93 91.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.364 176.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.85 -38.92 90.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.219 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.03 -41.35 92.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.694 0.283 . . . . 0.0 110.732 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -74.86 -37.36 62.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.699 0.285 . . . . 0.0 110.411 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.21 -21.28 64.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.701 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.651 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -85.4 -38.28 12.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.72 -31.26 72.16 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.234 173.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.6 99.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.407 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 71' ' ' ILE . 23.6 mt -62.24 -44.05 98.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.576 177.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.549 ' HA ' ' HB3' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -70.34 -15.11 62.83 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.905 -178.159 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -42.98 98.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -79.83 -35.0 38.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.55 176.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.601 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -82.15 4.34 23.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.902 -176.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 1.5 tp60 -122.86 -24.44 4.81 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.203 176.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -60.77 -30.62 70.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.382 -175.354 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.534 HD11 HD11 ' A' ' 89' ' ' LEU . 2.0 pp -71.28 -27.14 28.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.388 0.613 . . . . 0.0 110.809 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.504 ' HB2' HD12 ' A' ' 89' ' ' LEU . . . -79.12 -30.56 43.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 62.5 mt-10 -80.52 -21.75 41.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.392 -177.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.49 -22.85 50.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.335 0.588 . . . . 0.0 109.997 173.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.404 ' HB3' ' H ' ' A' ' 86' ' ' HIS . 68.8 m-80 -105.3 -148.32 0.4 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.404 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 1.2 m170 -138.88 38.47 2.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.368 0.604 . . . . 0.0 109.795 174.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.559 HD11 ' HG ' ' A' ' 89' ' ' LEU . 4.2 pt -90.27 -179.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.67 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -128.19 86.07 2.42 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.715 -178.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.559 ' HG ' HD11 ' A' ' 87' ' ' ILE . 10.6 mt -77.36 -14.64 59.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 177.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.03 101.78 0.73 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.292 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.55 -4.29 50.61 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 m -113.93 30.81 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.19 0.519 . . . . 0.0 111.162 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 96' ' ' THR . 2.3 m-20 -81.25 124.42 80.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.75 176.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -81.37 -29.22 1.98 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.935 2.424 . . . . 0.0 114.008 -169.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.601 ' CD2' HD13 ' A' ' 15' ' ' LEU . 4.5 m-30 -108.33 -47.62 3.49 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.335 -173.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.689 ' CG2' HG22 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -128.67 109.43 11.33 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.311 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.5 m -62.38 -34.64 77.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.926 -171.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.689 HG22 ' CG2' ' A' ' 96' ' ' THR . 2.7 m -45.08 136.85 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -175.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.683 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -94.8 167.77 12.47 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.534 174.173 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.683 ' HD2' HG22 ' A' ' 99' ' ' THR . 21.7 Cg_endo -59.46 -32.04 95.73 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.357 2.038 . . . . 0.0 111.582 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -74.74 -31.88 61.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.782 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.572 HG12 ' OG1' ' A' ' 99' ' ' THR . 2.0 mm -56.13 -52.04 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.557 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -80.54 -32.23 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.859 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -74.17 -46.38 42.56 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.154 -0.219 . . . . 0.0 111.309 -177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.2 m -70.37 -31.05 68.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.706 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 1.1 mttm -64.36 -42.8 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.628 ' HE3' ' HE2' ' A' ' 28' ' ' MET . 64.1 t-105 -58.82 -43.08 90.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.239 176.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.86 -43.72 90.89 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 10.7 mmtt -65.22 -33.81 76.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.522 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.0 t -63.54 -45.68 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.527 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -61.76 -36.32 80.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.443 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -84.66 -5.1 59.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.463 -177.427 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.8 mt -93.71 -14.16 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.171 0.51 . . . . 0.0 110.362 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.495 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 79.1 t -58.12 -55.07 49.17 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.736 178.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 19.6 Cg_endo -58.73 -28.14 85.69 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.495 2.13 . . . . 0.0 113.262 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -67.08 -57.27 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.179 0.514 . . . . 0.0 110.264 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -68.08 -24.25 65.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.591 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -41.04 91.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.303 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -78.28 -41.25 34.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.046 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 124' ' ' GLU . . . -60.43 -40.79 92.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.349 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.636 HD22 HD13 ' A' ' 51' ' ' ILE . 15.3 mt -67.56 -51.05 55.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.168 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -59.92 -44.68 94.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.501 -177.213 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -40.19 95.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.875 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -71.88 -42.23 67.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.423 -178.799 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -25.45 64.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.766 0.317 . . . . 0.0 110.642 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.1 m -80.65 -13.85 58.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.992 0.425 . . . . 0.0 110.231 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -87.49 -2.06 58.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.997 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.612 ' HG3' HG13 ' A' ' 47' ' ' ILE . 8.2 mm-40 -103.58 -141.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.478 -179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.431 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 49.3 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.608 -175.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.805 -0.518 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.95 93.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.016 0.436 . . . . 0.0 110.661 178.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.702 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.48 -35.13 73.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.892 -175.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -62.03 -16.78 54.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.76 0.314 . . . . 0.0 111.589 -174.098 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -97.66 -26.49 14.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.065 0.459 . . . . 0.0 110.052 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.561 ' O ' HG12 ' A' ' 10' ' ' ILE . 13.3 mt-30 -80.02 -29.45 39.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.822 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 3' ' ' THR . 9.2 mt -79.91 -44.9 19.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.337 178.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.2 tp10 -69.41 -39.52 77.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.361 -174.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.57 -30.55 70.2 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.257 0.551 . . . . 0.0 110.439 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 6' ' ' GLN . 1.0 OUTLIER -99.66 -2.56 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.859 -179.031 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.42 -32.63 54.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -61.47 -34.59 75.71 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 170.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -66.19 -48.74 69.69 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.977 172.797 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -50.05 -38.07 36.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.974 175.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.647 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -59.46 -48.45 81.6 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.509 177.382 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.08 -30.02 69.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 0.0 110.125 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.6 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 5.1 t80 -67.32 -51.83 47.72 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.3 -25.44 66.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.467 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -29.78 55.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.033 0.444 . . . . 0.0 111.004 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.78 ' HB3' HD11 ' A' ' 71' ' ' ILE . 1.8 mtp85 -97.52 -32.65 11.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -70.88 -16.82 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.831 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -71.93 -57.42 3.99 Favored Pre-proline 0 CA--C 1.532 0.266 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.256 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.831 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 19.6 Cg_exo -66.51 -30.61 43.23 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 121.906 1.737 . . . . 0.0 111.321 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HE2' ' HB3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -66.64 -41.88 87.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.288 177.211 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.9 t-20 -74.4 -21.73 59.5 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.165 0.507 . . . . 0.0 110.284 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.69 -40.99 63.22 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -66.64 -50.75 61.96 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.192 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.498 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 8.8 mmt -50.87 -50.88 56.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.855 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.28 -44.5 83.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.955 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -71.58 -36.46 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.902 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.29 -45.06 57.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.82 0.343 . . . . 0.0 111.241 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.438 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 3.6 ttt -64.45 -33.49 76.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.132 0.491 . . . . 0.0 110.246 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.44 -46.64 47.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.984 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.85 -42.09 97.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mp -74.61 -21.33 59.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.399 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.2 OUTLIER -90.67 -32.56 16.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.167 0.508 . . . . 0.0 110.821 179.356 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.22 131.72 49.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.073 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.9 mmt -77.86 100.81 6.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.632 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -61.46 133.4 55.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.16 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 tp -108.39 133.74 52.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.137 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 47' ' ' ILE . 19.0 m -126.73 156.75 37.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -123.81 -51.19 1.82 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.612 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -111.94 174.34 5.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.95 -176.853 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.507 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -74.4 -26.57 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.456 -178.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.612 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 2.2 mp0 -58.51 -47.77 83.03 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.226 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 3.6 mt-10 -74.08 -29.66 61.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.303 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.605 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -66.11 -39.12 83.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.09 -40.69 82.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.199 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.67 -31.58 65.02 Favored Glycine 0 CA--C 1.509 -0.302 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -58.32 -43.31 88.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.861 -0.67 . . . . 0.0 110.397 173.594 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.605 HG12 ' O ' ' A' ' 47' ' ' ILE . 5.5 mm -64.74 -45.23 95.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.155 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -32.74 71.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.758 0.313 . . . . 0.0 111.188 -178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.34 -31.72 73.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.115 0.483 . . . . 0.0 110.916 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -85.13 -30.18 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.284 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.22 -51.3 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.691 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -69.64 -20.49 63.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -66.18 -38.53 88.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.877 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.615 ' HE3' HD12 ' A' ' 61' ' ' LEU . 9.9 mmmm -69.15 -14.5 63.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.078 176.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m -94.14 -27.69 16.09 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.615 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -22.66 38.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.613 176.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.6 mt -55.4 -59.29 11.53 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.979 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.58 -29.65 90.41 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.04 1.827 . . . . 0.0 112.494 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -71.36 -52.75 16.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.294 0.568 . . . . 0.0 110.151 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 68' ' ' ARG . . . -71.72 -32.65 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.391 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 26.6 t70 -62.27 -39.22 92.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.149 0.5 . . . . 0.0 110.753 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -72.34 -37.99 68.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.107 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -37.42 85.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.246 -175.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -62.88 -37.51 87.21 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.315 179.286 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.12 -35.44 64.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.88 0.372 . . . . 0.0 110.445 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.26 -22.9 61.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.561 . . . . 0.0 110.712 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.78 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -83.18 -36.84 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -66.41 -25.06 66.58 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.497 171.503 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -71.54 -45.3 62.73 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.892 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.6 mt -63.53 -39.14 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.769 0.795 . . . . 0.0 109.52 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.6 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -72.81 -14.59 61.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.108 -179.261 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -65.36 -45.49 83.96 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.212 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -79.19 -32.46 44.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.166 0.508 . . . . 0.0 110.131 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.11 1.69 42.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.821 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -122.11 -40.5 2.5 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 174.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -26.11 68.46 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.168 -174.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.438 HG12 HG21 ' A' ' 10' ' ' ILE . 1.9 pp -62.51 -42.84 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 121.178 0.513 . . . . 0.0 109.861 175.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.584 ' HB1' ' HA ' ' A' ' 87' ' ' ILE . . . -77.29 -39.88 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.175 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.6 -7.22 24.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.753 0.311 . . . . 0.0 111.273 -178.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.4 m -109.03 2.52 21.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.618 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.449 ' OD1' ' HA ' ' A' ' 82' ' ' ALA . 1.8 p-10 -152.31 -153.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -75.41 88.76 2.62 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.615 0.245 . . . . 0.0 110.413 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.584 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -41.07 119.13 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.582 170.742 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.44 60.65 0.76 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.333 0.587 . . . . 0.0 110.396 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.432 ' HB2' ' H ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -138.62 -95.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.441 178.18 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.432 ' H ' ' HB2' ' A' ' 89' ' ' LEU . 0.9 OUTLIER 45.05 50.51 9.21 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 123.812 0.695 . . . . 0.0 112.509 175.009 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.81 -26.74 13.41 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.347 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -87.09 59.2 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.177 0.513 . . . . 0.0 110.989 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -90.32 124.05 63.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.82 -56.78 0.07 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.567 2.178 . . . . 0.0 113.896 -171.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.647 ' HE2' HD22 ' A' ' 15' ' ' LEU . 2.8 m-85 -101.22 -44.59 5.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.084 0.469 . . . . 0.0 110.842 -171.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.838 HG23 HG13 ' A' ' 98' ' ' VAL . 0.8 OUTLIER -122.96 115.21 21.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.6 0.715 . . . . 0.0 110.121 -177.036 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.1 m -80.18 -29.64 38.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.171 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.838 HG13 HG23 ' A' ' 96' ' ' THR . 0.5 OUTLIER -48.44 128.45 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.87 177.088 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.614 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -104.78 163.38 17.32 Favored Pre-proline 0 N--CA 1.446 -0.671 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.333 -179.264 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.614 ' HD2' HG22 ' A' ' 99' ' ' THR . 11.1 Cg_endo -54.8 -39.55 89.25 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.879 2.386 . . . . 0.0 111.997 178.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -68.18 -40.94 82.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.191 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -56.6 -34.9 43.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.4 -36.28 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.59 -41.52 26.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.568 0.223 . . . . 0.0 111.407 -176.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.6 m -69.97 -33.45 72.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.688 0.28 . . . . 0.0 110.454 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.498 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -65.59 -43.42 89.74 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.218 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.491 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.4 t-105 -56.0 -45.92 78.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.107 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -34.2 71.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.475 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.3 mttm -80.72 -36.74 31.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.643 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.68 -44.1 99.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.532 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 5.0 mm-40 -57.81 -47.7 81.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.742 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 1.4 pt20 -71.63 -14.33 62.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.328 -177.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.3 mt -84.41 -19.28 33.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.029 0.442 . . . . 0.0 110.295 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.703 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 87.7 t -61.38 -54.81 49.32 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.989 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.703 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 38.5 Cg_exo -61.74 -36.97 71.37 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.278 1.985 . . . . 0.0 112.204 178.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' A' ' 112' ' ' GLN . 12.7 mttm -58.67 -50.6 73.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.341 0.591 . . . . 0.0 110.189 177.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -68.21 -34.26 75.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.597 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -63.94 -32.42 73.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.994 0.426 . . . . 0.0 110.549 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -86.74 -41.54 14.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.238 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.11 90.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.423 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 50' ' ' LEU . 31.0 mt -62.8 -50.58 70.44 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.446 178.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.495 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -58.38 -44.48 88.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.16 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.12 -46.49 89.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.602 0.239 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.403 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -70.87 -41.85 70.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.777 -177.262 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.495 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -69.05 -23.38 64.04 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.842 -178.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.6 m -86.81 -12.18 48.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 110.745 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -19.86 52.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 0.0 109.752 175.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -92.52 -145.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.974 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.36 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.954 -0.458 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -74.63 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.803 0.335 . . . . 0.0 111.359 -177.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.671 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -130.8 -27.48 2.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.761 0.315 . . . . 0.0 111.743 -175.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.616 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -63.58 -19.61 64.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.994 -174.745 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -28.98 17.81 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.407 ' O ' HG23 ' A' ' 10' ' ' ILE . 31.4 mt-30 -67.13 -39.91 86.7 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 3' ' ' THR . 6.5 mt -71.57 -39.8 70.37 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.422 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -65.95 -38.04 87.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.411 -179.633 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.06 -41.28 64.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.683 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.465 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.8 pp -77.25 -16.59 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.294 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 20.5 t70 -80.39 -24.72 39.52 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.106 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -82.01 -13.93 56.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.359 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.465 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 1.4 pp -102.56 -2.54 28.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 168.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -64.49 -36.22 83.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.473 175.044 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.91 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -80.08 -17.62 52.17 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.412 -179.416 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.57 -43.01 91.14 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.394 172.085 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' CD1' HG21 ' A' ' 96' ' ' THR . 2.7 t80 -57.95 -49.44 76.78 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 171.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.741 ' HB2' ' HB ' ' A' ' 96' ' ' THR . . . -61.25 -30.13 70.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.907 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.39 -29.0 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.689 0.28 . . . . 0.0 111.119 -176.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 -95.82 -37.28 10.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.041 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -69.82 -19.05 63.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.246 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.491 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -69.24 -59.58 4.93 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.392 -176.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 45.1 Cg_endo -69.47 -25.23 30.16 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.226 1.284 . . . . 0.0 111.261 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.689 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.9 t80 -69.21 -41.2 77.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.347 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -68.68 -33.08 73.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.174 0.511 . . . . 0.0 110.062 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.06 -36.21 72.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.386 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -69.36 -49.17 58.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.063 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.636 ' HE1' HG13 ' A' ' 103' ' ' ILE . 17.0 mtm -60.14 -43.04 96.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.364 -176.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.47 -42.49 92.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.637 0.256 . . . . 0.0 110.579 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.5 m -66.81 -41.3 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.345 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 35' ' ' LEU . . . -65.12 -46.86 79.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.579 ' HE1' ' HG3' ' A' ' 106' ' ' LYS . 19.2 ttm -59.95 -35.41 74.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.803 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.54 -48.65 25.69 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.641 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.39 -31.79 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 -175.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 3.8 mp -77.04 -28.62 54.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.961 -178.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.9 OUTLIER -78.68 -39.26 37.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.056 -179.306 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -78.14 154.33 31.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.655 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.45 168.49 19.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.506 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -124.87 124.24 41.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.14 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -86.63 130.64 36.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.157 0.503 . . . . 0.0 109.701 175.075 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.451 HG12 HD23 ' A' ' 50' ' ' LEU . 28.7 m -126.45 149.19 31.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.394 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -111.65 -46.99 3.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.215 0.531 . . . . 0.0 110.169 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.527 ' HB ' ' HG3' ' A' ' 45' ' ' GLU . 1.2 p -134.33 170.33 15.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.682 -174.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.513 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.91 -33.72 53.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.953 0.406 . . . . 0.0 110.615 178.379 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' HG3' ' HB ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -50.59 -38.94 48.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.347 176.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.85 -32.69 27.35 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 120.908 0.385 . . . . 0.0 110.563 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.722 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -62.34 -41.91 93.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.171 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.04 -28.64 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.112 0.482 . . . . 0.0 110.094 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.17 -38.2 54.63 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -58.25 -46.19 86.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.693 -0.754 . . . . 0.0 110.955 174.65 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.722 HG12 ' O ' ' A' ' 47' ' ' ILE . 4.2 mm -64.37 -40.62 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.362 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.5 m -58.26 -35.52 71.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.981 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . -65.24 -19.11 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.005 0.431 . . . . 0.0 111.14 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.75 -29.82 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -64.86 -50.66 65.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.401 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -68.81 -24.64 64.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.878 177.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 31.9 t80 -69.95 -44.72 68.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.262 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.687 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.16 -20.06 62.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.569 175.013 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -92.76 -28.25 16.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.161 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -21.52 27.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.801 0.334 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.687 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.8 mt -54.34 -55.73 34.08 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.682 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.508 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 33.8 Cg_exo -58.27 -28.87 85.98 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.054 1.836 . . . . 0.0 112.433 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.54 -53.77 9.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.282 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.6 -29.92 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.103 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.482 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 30.4 t70 -63.03 -47.89 81.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.765 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -27.1 63.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.438 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.11 -41.28 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.689 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -63.12 -38.79 92.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.043 0.449 . . . . 0.0 110.181 177.29 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -42.28 94.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.935 175.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.71 -16.3 63.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.442 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -83.9 -39.04 14.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.53 -27.06 65.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.286 173.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.41 -33.94 77.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.525 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 71' ' ' ILE . 20.8 mt -71.85 -41.81 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.006 175.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -14.75 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.432 -177.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -40.23 90.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.567 0.222 . . . . 0.0 110.627 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.434 ' HA ' ' HG2' ' A' ' 80' ' ' ARG . 61.2 mm-40 -81.04 -33.84 33.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 110.447 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.49 -6.14 59.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.845 -174.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.61 -37.17 5.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.211 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 12.8 ptt85 -60.21 -35.22 74.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.912 -178.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 2.2 pp -63.41 -35.48 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.295 0.569 . . . . 0.0 110.14 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.72 49.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.66 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -76.49 -21.27 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.81 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 m -81.46 -20.2 40.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.195 0.521 . . . . 0.0 110.266 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.418 ' HB3' HG23 ' A' ' 87' ' ' ILE . 10.5 m120 -104.42 -159.04 0.69 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.53 44.31 2.54 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 171.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 85' ' ' ASN . 1.8 pt -83.03 -179.55 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.782 -174.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.91 88.92 2.84 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.939 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.73 -31.73 64.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.009 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.68 105.84 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.718 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.46 -12.02 33.22 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.759 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.452 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 1.3 m -108.92 17.94 21.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.47 0.652 . . . . 0.0 109.97 178.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.62 99.39 13.2 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.206 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 92' ' ' SER . 95.3 Cg_endo -83.09 -41.34 0.1 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.732 2.288 . . . . 0.0 113.333 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.467 ' CE2' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -97.15 -55.36 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.0 110.232 -175.006 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.741 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -119.59 134.83 55.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.399 -176.379 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 m -103.68 -27.53 12.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.461 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.461 HG21 ' HB1' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -43.83 105.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 114.456 -1.247 . . . . 0.0 112.878 -179.642 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.842 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -82.89 161.15 59.12 Favored Pre-proline 0 N--CA 1.448 -0.543 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.925 177.443 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.842 ' HD2' HG22 ' A' ' 99' ' ' THR . 10.2 Cg_endo -51.43 -42.29 55.8 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.844 2.363 . . . . 0.0 112.535 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -69.4 -34.26 74.23 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.511 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.1 -44.74 84.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.636 HG13 ' HE1' ' A' ' 28' ' ' MET . 0.3 OUTLIER -75.49 -32.5 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.11 -178.553 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -72.25 -49.9 31.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.393 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.1 m -58.12 -34.91 70.73 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.983 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.601 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -63.68 -48.57 76.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.349 177.554 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.482 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 71.9 t-105 -59.82 -41.84 92.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.568 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -38.24 85.73 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.38 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -41.02 91.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.718 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.07 -43.26 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.619 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -59.84 -45.85 91.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.797 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.0 -1.34 28.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.286 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 9.2 mt -100.52 -14.74 18.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.988 0.423 . . . . 0.0 110.349 176.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.785 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 98.6 t -60.71 -58.31 20.19 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.607 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.785 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 24.8 Cg_exo -64.29 -36.2 47.1 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.324 2.016 . . . . 0.0 112.28 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -47.95 83.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.127 0.489 . . . . 0.0 110.426 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.412 HH12 HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -72.17 -31.27 65.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.046 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -67.36 -32.27 73.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.156 0.503 . . . . 0.0 109.807 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.482 ' O ' ' HG2' ' A' ' 123' ' ' GLU . 1.0 OUTLIER -68.45 -50.13 54.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.268 -178.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 124' ' ' GLU . . . -61.02 -36.67 80.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.702 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 51' ' ' ILE . 23.6 mt -68.29 -47.8 66.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.242 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.6 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 14.8 mt -66.37 -41.95 88.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.866 -175.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 119' ' ' HIS . 18.0 pt-20 -74.54 -23.13 58.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.731 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -78.75 -44.46 23.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.664 0.269 . . . . 0.0 110.331 176.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.6 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.4 OUTLIER -67.23 -24.95 65.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.646 179.211 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 64.6 m -80.1 -21.47 43.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -5.9 58.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.482 0.658 . . . . 0.0 109.963 175.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.633 ' HG3' HG13 ' A' ' 47' ' ' ILE . 19.0 mm-40 -100.78 -152.74 0.43 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.683 175.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.045 -0.979 . . . . 0.0 109.577 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.77 -50.01 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.944 0.402 . . . . 0.0 111.231 -178.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.444 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -56.89 -36.4 70.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.051 -176.59 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.487 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -74.1 -4.16 33.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.737 -176.596 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.1 -30.13 9.94 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 176.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.444 ' OE1' ' HA ' ' A' ' 3' ' ' THR . 51.2 mt-30 -65.81 -43.32 88.99 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.296 173.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.766 ' HB2' HD23 ' A' ' 89' ' ' LEU . 2.9 pp -77.58 -27.26 51.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.664 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 2.6 tt0 -72.79 -37.76 67.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.405 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.69 -41.01 75.99 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.188 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.596 HD11 HD21 ' A' ' 89' ' ' LEU . 1.5 pp -76.23 -16.55 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.968 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.1 t0 -75.42 -25.11 57.26 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -72.86 -39.07 66.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.235 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -83.18 -6.51 59.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.009 0.433 . . . . 0.0 110.167 175.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.666 ' CD2' ' HB1' ' A' ' 78' ' ' ALA . 1.0 OUTLIER -63.77 -25.68 68.29 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 172.148 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.9 OUTLIER -65.24 -32.27 73.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -65.06 -34.47 78.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.933 0.397 . . . . 0.0 110.395 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' CE1' HG23 ' A' ' 98' ' ' VAL . 1.2 t80 -64.7 -48.14 75.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 175.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.46 -17.58 62.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.785 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 -27.69 17.68 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -102.53 -33.94 9.3 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.882 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -74.83 -16.98 60.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.725 0.297 . . . . 0.0 110.214 177.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.65 -58.78 9.2 Favored Pre-proline 0 CA--C 1.53 0.21 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 26' ' ' ASN . 37.7 Cg_endo -65.8 -27.65 51.71 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.515 1.477 . . . . 0.0 111.48 177.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.22 -44.84 86.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.176 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -75.11 -21.2 59.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.48 0.657 . . . . 0.0 110.156 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.452 ' HB2' ' HA ' ' A' ' 23' ' ' PRO . 2.5 m-80 -71.32 -44.34 65.31 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -63.24 -48.21 79.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.988 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mtt -49.57 -54.27 19.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.603 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -66.35 -47.09 74.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.66 -175.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 m -66.74 -26.79 67.16 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.362 -176.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.8 -49.6 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.633 0.254 . . . . 0.0 111.62 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -35.4 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.181 -176.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -73.7 -34.18 64.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.315 -178.825 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.82 -38.96 83.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.316 0.579 . . . . 0.0 109.516 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD23 ' HB3' ' A' ' 113' ' ' LEU . 4.3 mp -71.14 -32.47 69.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.69 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -36.88 55.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.158 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -70.61 167.23 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.248 -178.469 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.48 137.41 35.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.218 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -101.18 130.07 47.21 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.267 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 tp -99.88 129.0 51.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.935 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.539 HG12 HD23 ' A' ' 50' ' ' LEU . 34.9 m -126.67 137.98 56.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.238 0.542 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -117.73 -41.11 2.95 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.064 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.463 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 10.7 p -122.66 164.87 17.45 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.556 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.495 HG23 ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -66.79 -30.37 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.377 179.147 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.495 ' OE2' HG23 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -48.82 -47.65 42.16 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.746 176.658 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.57 -33.63 66.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.626 0.25 . . . . 0.0 110.691 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.462 ' HA ' HD13 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.42 -35.2 74.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.327 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.88 -33.55 74.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.172 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.14 -46.33 5.63 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.696 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD23 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -51.27 -46.06 62.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.049 0.54 . . . . 0.0 111.434 176.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.608 HG12 ' HB3' ' A' ' 121' ' ' LEU . 31.1 mt -74.05 -32.1 31.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.215 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' A' ' 55' ' ' ASP . 17.2 m -64.12 -24.1 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.049 0.452 . . . . 0.0 110.729 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.52 0.48 14.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.67 0.748 . . . . 0.0 110.678 175.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -114.45 -36.63 4.55 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 171.036 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' HB3' ' HA ' ' A' ' 52' ' ' SER . 13.1 t0 -48.46 -59.47 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.659 173.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -87.92 2.28 51.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.417 ' HB2' ' HA ' ' A' ' 54' ' ' HIS . 7.4 t80 -74.54 -34.97 63.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.58 ' HE2' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -64.96 -20.28 66.4 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.772 174.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.97 -32.69 16.68 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.866 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.3 -28.69 57.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.012 0.434 . . . . 0.0 111.418 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.58 HD12 ' HE2' ' A' ' 58' ' ' LYS . 3.7 mt -60.3 -53.82 61.11 Favored Pre-proline 0 C--O 1.22 -0.465 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 13.2 Cg_endo -56.98 -36.17 99.16 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.996 1.797 . . . . 0.0 112.529 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -73.99 -47.48 36.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.177 -179.239 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 67' ' ' GLU . . . -67.61 -29.54 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -41.94 95.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.977 0.418 . . . . 0.0 110.186 176.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 64' ' ' ALA . 70.8 mm-40 -58.96 -45.24 91.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.282 176.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -26.6 68.41 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.769 0.319 . . . . 0.0 110.739 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.21 -40.53 19.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.953 0.406 . . . . 0.0 110.529 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.59 -20.4 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.108 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.533 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -86.96 -34.43 7.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -179.552 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -65.76 -29.41 69.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.01 171.609 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.401 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -65.97 -38.26 88.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 71' ' ' ILE . 12.7 mt -66.2 -41.36 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.397 0.618 . . . . 0.0 110.092 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.672 ' HA ' ' HB3' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -78.03 -5.8 52.53 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.143 -177.673 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 72' ' ' LEU . 3.5 mmmt -59.96 -55.68 31.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.25 -28.73 42.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.74 0.781 . . . . 0.0 109.516 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.672 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -82.59 -1.25 50.27 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.228 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -124.33 -44.74 1.99 Allowed 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 120.378 -0.529 . . . . 0.0 112.166 177.04 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.905 ' HA ' ' HG3' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -53.88 -29.22 40.72 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.6 pp -56.9 -42.97 79.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.473 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.61 -16.62 44.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.453 0.644 . . . . 0.0 110.419 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.905 ' HG3' ' HA ' ' A' ' 80' ' ' ARG . 1.4 mt-10 -80.09 -29.53 39.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.541 175.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.7 m -81.36 -44.92 16.89 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.287 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.89 134.45 53.54 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -73.62 65.89 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 123.466 0.479 . . . . 0.0 111.756 -172.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -96.37 169.54 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.46 93.4 2.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.562 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.766 HD23 ' HB2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -48.47 -78.97 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.01 177.441 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.437 ' H ' ' HB2' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -116.3 -68.84 0.89 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.245 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.37 -105.46 0.21 Allowed Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.99 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.55 -31.19 13.43 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 96' ' ' THR . 16.4 p-10 -140.43 137.23 17.43 Favored Pre-proline 0 N--CA 1.454 -0.268 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.834 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.405 ' HG3' ' ND1' ' A' ' 14' ' ' HIS . 73.0 Cg_endo -81.67 -49.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.259 1.972 . . . . 0.0 111.947 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.561 ' CD2' HD13 ' A' ' 15' ' ' LEU . 11.5 m-85 -131.09 -42.46 1.09 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.026 0.441 . . . . 0.0 110.188 -175.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.514 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 4.6 t -116.02 134.24 55.17 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.944 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.5 m -77.51 -25.86 50.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.502 -173.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.419 HG21 ' HB1' ' A' ' 21' ' ' ALA . 15.1 m -54.06 112.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.399 0.619 . . . . 0.0 112.319 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 100' ' ' PRO . 16.1 p -94.82 160.26 31.58 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.992 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 10.5 Cg_endo -54.19 -36.57 86.2 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.011 2.474 . . . . 0.0 112.312 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -75.84 -41.07 53.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.687 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -61.7 -40.59 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.317 . . . . 0.0 110.278 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -76.67 -31.87 20.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.403 -178.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.4 t-20 -76.74 -50.17 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.063 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -60.38 -40.01 89.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.402 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 2.8 mmtt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.908 0.385 . . . . 0.0 110.329 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -59.44 -42.63 92.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.27 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -58.75 -35.55 72.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.319 0.58 . . . . 0.0 110.899 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.57 -39.79 62.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.317 179.424 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 106' ' ' LYS . 73.9 t -55.84 -45.01 79.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.598 174.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -40.51 94.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.281 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 4.5 pt20 -72.98 -25.29 60.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.918 0.389 . . . . 0.0 111.245 -177.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.473 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.5 mt -75.92 -18.88 59.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.733 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.891 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 57.6 t -61.23 -61.51 7.79 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.016 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.891 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 29.2 Cg_exo -62.84 -26.6 74.75 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.438 2.092 . . . . 0.0 112.233 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.45 -56.14 14.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.472 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.74 -30.57 68.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.466 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 114' ' ' VAL . 0.4 OUTLIER -57.38 -38.26 73.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.203 0.525 . . . . 0.0 110.457 177.691 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -76.68 -32.13 57.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.581 -175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.12 -40.41 71.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.196 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.608 ' HB3' HG12 ' A' ' 51' ' ' ILE . 16.2 mt -67.32 -45.42 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.787 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 1.7 mm? -72.91 -14.06 61.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.478 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -24.71 20.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.024 0.44 . . . . 0.0 110.371 175.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -88.65 -46.01 9.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.184 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.443 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -61.76 -26.8 68.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.51 -177.163 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -12.15 61.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.592 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -89.81 -4.28 57.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.144 0.497 . . . . 0.0 110.591 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -95.03 -133.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.454 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.609 -178.505 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.895 0 N-CA-C 112.034 -0.426 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.19 94.74 0.16 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.223 0.535 . . . . 0.0 110.067 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.659 ' HA ' ' HG2' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -84.04 -12.87 54.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -169.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -10.15 59.41 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.463 -171.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -114.0 -29.13 7.11 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.668 175.554 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.659 ' HG2' ' HA ' ' A' ' 3' ' ' THR . 3.6 pt20 -88.0 -15.67 35.8 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.319 -0.553 . . . . 0.0 110.703 -175.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -96.32 -37.39 10.52 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 173.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.477 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 3.3 tp10 -68.47 -40.83 80.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.906 -176.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.75 69.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.678 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.613 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.2 pp -83.23 -15.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.259 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 3.2 t0 -79.34 -27.11 42.05 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.67 -34.97 70.15 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.489 174.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.613 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 1.5 pp -88.06 -8.76 55.05 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.05 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.7 OUTLIER -61.3 -29.87 70.14 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 170.78 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.626 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.6 OUTLIER -64.08 -37.13 86.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.6 175.191 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.14 -34.51 77.77 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 120.964 0.412 . . . . 0.0 110.289 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.6 -48.49 72.14 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.611 ' HA ' HG21 ' A' ' 96' ' ' THR . . . -69.39 -22.0 63.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.589 -178.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -38.08 56.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.613 0.244 . . . . 0.0 111.07 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.62 ' HB3' HD11 ' A' ' 71' ' ' ILE . 8.1 mtt85 -89.88 -36.2 15.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.597 -177.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.719 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -68.75 -17.79 64.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.931 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -69.0 -56.78 8.47 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.356 -177.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 17.0 Cg_exo -66.39 -28.93 46.18 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.951 1.767 . . . . 0.0 111.47 176.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -42.01 86.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.337 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 2.1 t-20 -68.38 -31.31 70.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.569 0.699 . . . . 0.0 110.024 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.77 -22.75 53.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.233 -178.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -87.64 -52.03 5.55 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.091 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.471 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -57.74 -46.01 85.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.857 -176.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -41.59 97.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.607 0.241 . . . . 0.0 111.407 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -77.45 -25.14 50.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.002 0.429 . . . . 0.0 110.846 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' O ' HD13 ' A' ' 35' ' ' LEU . . . -83.49 -48.12 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.406 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.528 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -64.09 -29.84 70.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.837 -177.808 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -39.59 74.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.7 -40.36 95.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.371 0.605 . . . . 0.0 110.213 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.728 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 8.3 mp -74.72 -23.35 58.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.962 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -91.89 -32.52 15.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.961 -178.342 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -76.77 176.15 8.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.456 0.646 . . . . 0.0 111.931 -174.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.9 tpt -109.12 142.02 40.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.479 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -113.66 127.52 56.08 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.573 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 40' ' ' ILE . 6.5 tp -105.52 120.83 56.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.856 0.836 . . . . 0.0 110.099 173.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.58 HG11 HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.61 96.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.695 -178.316 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -86.81 -32.58 20.24 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.91 143.97 39.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.191 -174.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -35.83 74.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -176.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -34.23 59.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.588 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -79.78 -37.19 35.85 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.454 HD11 HG21 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -59.99 -36.79 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.831 0.348 . . . . 0.0 110.441 -177.81 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -81.96 6.83 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.313 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -123.48 -35.0 0.72 Allowed Glycine 0 N--CA 1.455 -0.086 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.58 HD12 HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -67.69 -49.1 64.45 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.437 1.095 . . . . 0.0 110.47 178.518 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.668 HD11 ' HB3' ' A' ' 125' ' ' GLN . 29.0 mt -63.39 -40.96 91.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -31.1 69.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.396 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.28 -25.7 66.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.074 0.464 . . . . 0.0 110.717 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -97.7 -13.69 21.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.36 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -78.77 -48.55 14.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.713 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.53 -13.32 58.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.257 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -59.89 -37.63 79.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.449 175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -73.42 -13.59 61.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.62 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.01 -33.85 15.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.698 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.1 -22.81 41.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.145 176.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.8 -60.86 6.21 Favored Pre-proline 0 N--CA 1.467 0.387 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.16 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.01 -30.04 90.67 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.006 1.804 . . . . 0.0 112.515 -176.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.4 -50.37 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.347 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.27 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.519 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.46 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 1.8 t70 -61.3 -47.62 85.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.349 177.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -37.19 84.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.371 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.24 -35.9 80.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.545 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.421 ' HD2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -57.06 -43.34 81.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 178.798 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -29.74 57.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.859 0.361 . . . . 0.0 110.481 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.96 -9.8 59.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.146 0.498 . . . . 0.0 110.814 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.62 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -94.2 -39.09 10.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.019 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -65.65 -30.91 71.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.942 -1.027 . . . . 0.0 109.454 174.614 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.38 87.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.926 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 71' ' ' ILE . 33.4 mt -65.58 -42.12 92.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.28 0.562 . . . . 0.0 110.409 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.692 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -73.19 -16.07 61.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.932 -178.277 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -48.31 82.12 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -78.1 -30.15 49.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.974 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -87.14 -0.37 56.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.443 -175.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.539 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -116.68 -42.99 2.93 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.732 177.574 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -56.57 -32.61 65.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.635 -176.173 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.696 HD11 HD11 ' A' ' 89' ' ' LEU . 2.3 pp -61.31 -34.35 60.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.979 0.419 . . . . 0.0 110.923 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.41 -30.53 33.54 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.941 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 61.9 mt-10 -75.54 -16.76 60.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.358 -176.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -18.57 58.31 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.107 0.479 . . . . 0.0 110.604 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.511 ' HB2' HG23 ' A' ' 87' ' ' ILE . 3.9 m-80 -125.85 -153.97 0.6 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -133.16 43.15 2.97 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 171.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 85' ' ' ASN . 1.9 pt -80.07 168.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.395 -173.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.78 86.51 2.51 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.583 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.696 HD11 HD11 ' A' ' 81' ' ' ILE . 7.3 mt -63.85 176.19 0.99 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.648 175.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.472 ' HB2' ' HB3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -76.32 42.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.024 0.44 . . . . 0.0 110.942 178.156 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.85 164.43 36.98 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 -175.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -29.71 69.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.352 0.596 . . . . 0.0 109.913 175.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.689 ' HB2' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -128.91 86.74 56.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.02 179.767 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.472 ' HB3' ' HB2' ' A' ' 90' ' ' SER . 70.9 Cg_endo -78.3 -43.45 0.19 Allowed 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.555 2.17 . . . . 0.0 113.264 -176.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.626 ' HE2' HD22 ' A' ' 15' ' ' LEU . 19.9 m-30 -98.76 -47.86 5.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.002 0.43 . . . . 0.0 110.369 -174.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.611 HG21 ' HA ' ' A' ' 18' ' ' ALA . 11.9 t -122.95 127.76 49.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.689 ' HA ' ' HB2' ' A' ' 93' ' ' ASN . 6.9 m -84.26 71.25 10.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.362 0.601 . . . . 0.0 111.666 -174.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.719 HG21 ' HB1' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -134.99 82.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.849 178.287 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.732 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.2 OUTLIER -64.04 148.24 95.5 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.732 ' HD2' HG22 ' A' ' 99' ' ' THR . 1.3 Cg_endo -44.38 -44.87 13.02 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.467 2.778 . . . . 0.0 112.521 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -63.29 -45.26 92.2 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.092 0.472 . . . . 0.0 110.65 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.571 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -61.25 -40.56 86.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.967 -177.465 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.455 ' O ' ' HE1' ' A' ' 28' ' ' MET . 0.5 OUTLIER -82.83 -32.29 9.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.348 -179.071 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 6.4 t-20 -73.03 -51.58 17.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.631 0.253 . . . . 0.0 110.438 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.2 m -66.18 -27.31 67.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.072 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -66.27 -47.0 75.12 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 174.168 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.46 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 57.0 t-105 -60.16 -42.27 94.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.985 175.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.4 -38.61 90.32 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.829 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -68.05 -39.72 82.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.972 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.633 ' O ' HG23 ' A' ' 114' ' ' VAL . 25.5 t -57.99 -47.61 86.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.365 176.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.14 -33.71 67.66 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.145 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -20.57 40.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.77 0.319 . . . . 0.0 111.26 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.728 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 12.6 mt -89.26 -26.05 21.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.919 -177.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.727 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 21.6 t -55.55 -57.55 20.35 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.727 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 32.2 Cg_exo -59.75 -31.99 94.93 Favored 'Trans proline' 0 C--N 1.358 1.076 0 C-N-CA 122.712 2.275 . . . . 0.0 112.775 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -60.34 -51.35 69.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.214 0.53 . . . . 0.0 110.049 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -75.06 -33.7 61.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.768 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -34.08 75.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.8 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -83.01 -41.09 19.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.185 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.48 91.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.962 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.514 HD22 HG12 ' A' ' 51' ' ' ILE . 34.4 mt -67.79 -49.62 61.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.53 11.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.512 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -113.11 -40.38 3.95 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.33 -35.19 71.12 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.181 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.668 ' HB3' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -69.07 -30.7 69.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.269 178.358 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.485 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -76.66 -28.56 56.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.347 0.594 . . . . 0.0 110.286 177.852 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.24 6.97 27.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.21 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.459 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 1.3 mm-40 -95.6 -133.76 0.2 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.196 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.459 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.434 -178.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -48.0 81.77 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -174.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -36.73 82.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.227 0.537 . . . . 0.0 111.654 -175.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 1.038 ' HA ' HD23 ' A' ' 7' ' ' LEU . 2.1 mp0 -67.81 -28.89 67.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.651 -172.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HB3' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -77.2 -39.47 48.65 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 120.872 0.368 . . . . 0.0 110.244 -178.035 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.436 ' H ' ' HG2' ' A' ' 6' ' ' GLN . 2.3 pt20 -81.02 -12.08 59.42 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.886 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.038 HD23 ' HA ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -95.07 -40.19 9.75 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.476 176.078 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.609 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -73.82 -33.75 64.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.739 0.304 . . . . 0.0 111.339 -176.146 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.55 81.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.403 0.62 . . . . 0.0 109.637 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.708 HG21 HG12 ' A' ' 81' ' ' ILE . 1.1 pt -96.62 -3.2 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.57 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 2.6 t0 -76.72 -26.86 55.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.399 174.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.56 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 43.6 mm-40 -71.82 -21.07 61.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.693 172.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 77' ' ' GLU . 80.9 mt -77.9 -41.86 35.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 170.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -57.95 -32.23 67.62 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.416 172.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.594 HD23 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -60.69 -49.32 77.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.253 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.09 -28.29 62.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.13 0.49 . . . . 0.0 110.164 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -49.92 53.27 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 96' ' ' THR . . . -72.74 -15.35 61.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.141 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -40.72 37.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.678 176.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.686 ' HB3' HD11 ' A' ' 71' ' ' ILE . 2.8 mtt180 -88.85 -32.84 17.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.161 -178.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.23 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.921 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.91 -59.96 6.95 Favored Pre-proline 0 CA--C 1.536 0.42 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.988 -174.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.525 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 52.7 Cg_endo -71.51 -24.57 22.13 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.385 1.39 . . . . 0.0 111.747 178.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.598 ' O ' ' HG2' ' A' ' 28' ' ' MET . 1.6 t80 -65.92 -45.76 80.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.889 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 21.1 t30 -68.65 -27.27 65.85 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.267 0.556 . . . . 0.0 110.213 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -75.02 -37.3 61.82 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.697 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -65.86 -56.69 10.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.779 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.598 ' HG2' ' O ' ' A' ' 24' ' ' PHE . 7.8 ptp -65.52 -31.37 72.4 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.267 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -69.46 -32.4 71.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 111.049 -179.516 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -87.72 -42.63 12.49 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.596 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -48.41 39.45 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.458 ' HG3' HG22 ' A' ' 110' ' ' VAL . 3.2 ttm -66.34 -35.83 81.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.31 -177.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 2.9 mt-10 -63.71 -37.01 85.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.465 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -69.61 -39.95 76.93 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.77 -36.74 79.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.796 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -88.44 -9.58 52.06 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -88.89 172.63 9.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.087 0.47 . . . . 0.0 110.859 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.74 106.05 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.288 0.566 . . . . 0.0 110.299 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -63.78 147.21 52.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.534 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 tp -118.31 134.04 63.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.737 173.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.761 HG21 HG12 ' A' ' 47' ' ' ILE . 6.2 m -126.04 163.69 27.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.891 0.377 . . . . 0.0 110.744 -176.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -123.42 -44.93 2.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.433 0.635 . . . . 0.0 109.587 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -119.47 161.51 20.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.69 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.46 HD13 ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -63.77 -30.95 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.771 -179.727 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.33 -46.29 79.98 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.379 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.48 -33.62 69.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 0.0 110.302 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.761 HG12 HG21 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -65.83 -34.61 71.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 -179.541 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HG3' HD13 ' A' ' 44' ' ' ILE . 3.6 mm-40 -81.87 -31.76 31.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.092 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.9 -32.9 78.29 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 176.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -39.71 89.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.993 -0.604 . . . . 0.0 110.299 173.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 47' ' ' ILE . 4.8 mm -65.76 -45.96 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.307 175.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -58.59 -35.2 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.034 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . -64.43 -28.5 69.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.96 177.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -87.16 -32.68 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.19 176.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.88 -56.5 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.323 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -68.84 -18.27 64.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.558 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 40.7 t80 -64.16 -39.56 94.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.037 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -70.32 -15.24 62.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.468 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -91.11 -29.97 16.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.818 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.63 -21.07 45.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.037 0.446 . . . . 0.0 110.703 175.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -57.25 -54.77 51.22 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.656 -176.081 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 9.5 Cg_endo -52.69 -37.54 75.44 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.429 2.086 . . . . 0.0 113.034 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -80.08 -45.91 17.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.643 0.259 . . . . 0.0 110.799 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.853 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . . . -65.33 -27.62 68.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.471 . . . . 0.0 110.681 178.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.88 -32.22 73.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.844 174.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -36.19 64.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.086 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.853 ' HG3' ' HA ' ' A' ' 64' ' ' ALA . 4.7 mm-40 -53.74 -54.98 30.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.454 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.509 ' HB3' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -58.14 -39.91 79.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.54 0.209 . . . . 0.0 111.354 -177.451 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -68.12 -44.62 75.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.079 0.466 . . . . 0.0 110.251 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.27 -2.19 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.3 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -100.78 -39.32 6.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.777 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -33.25 74.78 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.774 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.06 74.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.646 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.9 mt -68.98 -40.91 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.586 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.46 ' NE2' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -69.9 -18.31 63.39 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.889 -177.691 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -61.21 -42.9 99.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.99 0.424 . . . . 0.0 110.702 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.661 ' HA ' ' HG2' ' A' ' 80' ' ' ARG . 6.5 tt0 -83.23 -29.97 28.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.631 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.43 1.21 49.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.485 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 1.2 tp60 -114.83 -34.33 5.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.099 175.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.661 ' HG2' ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -57.56 -33.25 67.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.387 0.429 . . . . 0.0 111.111 -175.74 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.708 HG12 HG21 ' A' ' 10' ' ' ILE . 2.2 pp -63.35 -36.01 74.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 110.6 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.479 ' HB1' HD11 ' A' ' 89' ' ' LEU . . . -82.34 -22.71 35.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.197 0.522 . . . . 0.0 110.715 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 31.4 mm-40 -74.46 -32.87 62.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.91 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -85.8 -41.39 15.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.451 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.84 130.42 53.94 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -74.45 70.57 1.75 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.321 0.582 . . . . 0.0 110.753 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.6 pt -77.87 179.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.981 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -107.9 78.96 1.23 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.056 -175.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.479 HD11 ' HB1' ' A' ' 82' ' ' ALA . 1.2 mt -68.34 120.18 14.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.859 173.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.53 136.09 56.68 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.78 -49.38 74.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.15 -0.547 . . . . 0.0 112.524 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -25.87 54.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.544 0.212 . . . . 0.0 110.993 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.79 147.24 0.11 Allowed Pre-proline 0 N--CA 1.467 0.396 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.421 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.2 -52.79 7.01 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.881 2.387 . . . . 0.0 112.561 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.594 ' CE2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -129.71 -31.83 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.342 0.591 . . . . 0.0 110.67 -178.443 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -90.4 72.38 7.02 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.764 -172.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -88.89 48.52 1.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.193 0.997 . . . . 0.0 110.68 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.31 101.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.247 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.734 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -71.58 150.42 93.59 Favored Pre-proline 0 N--CA 1.448 -0.56 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.734 ' HD2' HG22 ' A' ' 99' ' ' THR . 73.2 Cg_endo -74.04 18.6 0.45 Allowed 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.598 2.199 . . . . 0.0 113.193 -176.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.01 -53.63 1.63 Allowed 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -177.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -43.14 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.35 175.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 tt -71.98 -33.6 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.162 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.26 -42.86 29.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.4 m -59.76 -41.21 90.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.651 173.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -37.46 87.48 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.971 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -62.13 -42.55 99.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.279 175.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.86 -34.49 77.47 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.575 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -42.99 96.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.025 175.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 114' ' ' VAL . 77.1 t -59.95 -45.8 94.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.219 177.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -56.57 -45.59 81.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.864 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -79.62 -17.1 54.57 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -174.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.52 -14.13 38.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.744 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 77.4 t -59.76 -57.13 29.09 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.42 178.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.744 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 32.2 Cg_exo -60.35 -34.75 93.17 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.599 2.199 . . . . 0.0 112.744 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -61.16 -54.35 45.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.111 0.482 . . . . 0.0 110.419 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.506 ' HE ' HD11 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -67.62 -28.84 68.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.544 178.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.93 -32.4 73.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -83.01 -40.66 19.67 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.22 87.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.415 0.447 . . . . 0.0 110.499 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.506 HD11 ' HE ' ' A' ' 117' ' ' ARG . 18.0 mt -63.89 -50.85 67.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.717 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.7 OUTLIER -78.28 9.98 3.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.759 -176.246 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.4 ' HG3' ' HZ2' ' A' ' 127' ' ' LYS . 4.6 tp10 -109.1 -36.46 6.06 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.173 0.511 . . . . 0.0 109.778 173.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -33.64 16.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.655 -176.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.667 ' HB2' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.18 -29.03 67.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.12 0.486 . . . . 0.0 110.475 -178.87 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.473 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -81.21 -8.88 59.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.497 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.4 ' HZ2' ' HG3' ' A' ' 123' ' ' GLU . 4.5 mttt -93.31 -5.24 50.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.029 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.476 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 1.5 mm-40 -87.29 -135.15 0.08 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.304 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.476 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.966 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.247 -0.341 . . . . 0.0 112.247 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.786 ' HB2' ' HG3' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -85.12 -10.54 56.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.927 0.394 . . . . 0.0 111.195 -178.807 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.604 ' HA ' ' HG3' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 62.01 27.44 16.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.969 177.604 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.927 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -87.1 -40.83 14.3 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 121.177 0.513 . . . . 0.0 110.17 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -73.11 -29.42 62.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.723 0.773 . . . . 0.0 108.987 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.604 ' HG3' ' HA ' ' A' ' 3' ' ' THR . 0.7 OUTLIER -79.14 -11.48 59.98 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.994 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.927 HD23 ' HA ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -103.34 -35.78 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.113 0.482 . . . . 0.0 110.106 175.364 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -70.87 -36.75 72.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.048 -178.51 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.89 -34.84 76.08 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.304 0.573 . . . . 0.0 109.912 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.592 HD11 HD21 ' A' ' 89' ' ' LEU . 0.9 OUTLIER -81.37 -15.57 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.558 -179.639 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 9.7 t70 -78.51 -24.13 45.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.527 171.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 7.8 mm100 -73.5 -35.25 65.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.709 175.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.552 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 0.6 OUTLIER -85.97 -10.63 54.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.012 174.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.7 OUTLIER -59.56 -34.0 72.13 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 169.036 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.656 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -63.2 -36.37 83.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.973 177.273 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.0 -34.16 77.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.396 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.543 ' CD1' HG21 ' A' ' 96' ' ' THR . 1.6 t80 -66.18 -44.19 84.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 175.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -77.05 -4.39 44.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.866 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.63 -17.91 14.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.04 0.448 . . . . 0.0 111.075 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.476 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -105.09 -41.57 5.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.664 179.21 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -72.3 -13.32 61.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.796 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -74.44 -54.85 2.98 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.584 -176.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 16.2 Cg_exo -67.01 -29.02 41.1 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.61 1.54 . . . . 0.0 110.773 174.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.552 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.4 t80 -65.13 -44.98 86.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.408 177.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -70.74 -27.64 64.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.408 0.623 . . . . 0.0 109.787 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.63 -39.0 77.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.937 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -68.17 -50.07 56.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.315 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.552 ' HG3' ' O ' ' A' ' 24' ' ' PHE . 6.3 mtt -50.26 -45.54 54.34 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.682 0.614 . . . . 0.0 111.581 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -62.56 -56.7 15.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.697 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -63.37 -33.16 74.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.683 -175.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . -73.12 -53.65 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 110.997 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.407 ' HE2' ' HB2' ' A' ' 109' ' ' LYS . 9.9 ttm -64.48 -31.9 73.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.144 -177.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.6 -38.63 80.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.53 -32.25 69.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.48 0.657 . . . . 0.0 110.007 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -77.18 -29.18 54.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.996 -177.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.39 -37.7 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.795 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -85.34 176.07 8.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.382 0.611 . . . . 0.0 111.81 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -101.43 160.35 14.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.444 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -119.43 123.77 44.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.758 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.4 tp -87.98 129.83 38.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.241 0.543 . . . . 0.0 110.304 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.513 HG12 HD23 ' A' ' 50' ' ' LEU . 11.1 m -126.74 160.14 35.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.43 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -119.4 -48.25 2.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.7 p -125.15 173.8 8.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.233 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.786 HG22 ' HB3' ' A' ' 128' ' ' GLN . 0.5 OUTLIER -69.21 -23.22 26.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.847 179.427 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.501 ' N ' HG13 ' A' ' 44' ' ' ILE . 13.3 mt-10 -60.36 -38.69 84.65 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.806 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.18 -18.74 33.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.524 ' HB ' ' HA ' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -63.67 -45.53 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.755 176.63 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -74.51 -25.53 59.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.332 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.08 -40.57 56.29 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.513 HD23 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -64.15 -41.93 96.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.148 0.499 . . . . 0.0 110.311 176.019 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.486 HG12 HD22 ' A' ' 121' ' ' LEU . 29.7 mt -67.33 -33.33 61.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.723 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.5 m -61.63 -29.18 69.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.681 175.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.62 -15.63 63.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.269 0.557 . . . . 0.0 110.831 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.51 ' CE1' HG13 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -101.38 -13.08 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.484 174.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -84.36 -45.49 12.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.17 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -22.52 67.01 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.521 0.677 . . . . 0.0 109.483 172.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 67.7 t80 -62.38 -33.94 75.73 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.968 175.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.667 ' HE3' HD12 ' A' ' 61' ' ' LEU . 8.3 mmmm -79.39 -6.62 57.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.547 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -94.05 -33.13 13.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.833 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -39.68 56.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.667 HD12 ' HE3' ' A' ' 58' ' ' LYS . 2.5 mt -47.21 -55.75 14.71 Favored Pre-proline 0 N--CA 1.47 0.531 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -175.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.4 Cg_endo -52.71 -38.48 77.06 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.474 2.116 . . . . 0.0 112.997 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.62 -28.93 17.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.884 0.374 . . . . 0.0 110.737 -176.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.68 -37.48 76.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.219 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 4.9 t70 -64.32 -44.47 91.47 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 174.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -41.11 89.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.117 176.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -51.51 62.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.016 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -61.52 -35.86 78.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.727 0.298 . . . . 0.0 110.981 -178.743 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -71.81 -37.28 70.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 0.0 110.383 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.66 -14.26 59.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.9 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.476 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -87.8 -37.7 11.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.361 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -66.5 -27.98 68.21 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.239 171.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.1 -40.43 82.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.777 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.3 mt -66.87 -43.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.335 0.588 . . . . 0.0 110.271 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.415 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -68.59 -21.38 64.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.71 179.56 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -66.51 -36.08 81.83 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.497 0.665 . . . . 0.0 109.612 175.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.521 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -78.24 -26.52 47.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.088 178.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -102.04 -2.54 29.34 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -43.66 3.64 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.794 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.19 -21.41 65.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.152 -171.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.463 HG21 HG21 ' A' ' 10' ' ' ILE . 2.4 pp -66.16 -33.46 63.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.259 0.552 . . . . 0.0 110.066 176.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.57 -32.47 23.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.02 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.04 -31.61 66.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.049 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.8 m -74.44 -27.37 60.57 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.96 0.409 . . . . 0.0 110.894 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.412 ' HB3' HG23 ' A' ' 87' ' ' ILE . 68.7 m-80 -105.96 -153.63 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -141.24 38.48 1.74 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 169.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 85' ' ' ASN . 3.2 pt -76.62 168.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.679 -174.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.01 79.71 1.3 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.615 -176.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.592 HD21 HD11 ' A' ' 10' ' ' ILE . 6.2 mt -59.85 -18.77 46.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.451 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m 71.08 -73.13 0.1 Allowed 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.349 0.659 . . . . 0.0 110.986 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -120.7 123.07 5.45 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.283 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.4 m -67.5 -22.36 65.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.175 0.512 . . . . 0.0 110.05 176.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -126.57 73.05 74.18 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.398 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.05 -25.44 8.77 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.049 1.833 . . . . 0.0 112.084 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.656 ' CD2' HD13 ' A' ' 15' ' ' LEU . 20.5 m-30 -119.05 -49.79 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.158 0.504 . . . . 0.0 110.794 -174.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 98' ' ' VAL . 1.5 t -110.63 120.46 42.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.886 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.8 m -55.86 -41.72 74.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -176.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.546 HG22 ' OG1' ' A' ' 96' ' ' THR . 9.3 m -52.79 122.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.904 0.859 . . . . 0.0 113.223 -174.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.547 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -91.56 154.76 44.23 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.902 167.308 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.573 ' HB3' HD21 ' A' ' 72' ' ' LEU . 86.8 Cg_exo -49.15 -40.77 42.16 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.987 2.458 . . . . 0.0 112.984 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -69.16 -39.06 79.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.852 0.358 . . . . 0.0 110.576 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.542 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -63.78 -46.62 93.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.18 178.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -33.5 46.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.551 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 t-20 -72.61 -51.04 21.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 110.6 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.2 m -61.63 -35.96 79.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.1 OUTLIER -59.92 -44.28 94.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.598 0.237 . . . . 0.0 110.498 178.484 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -60.88 -41.77 96.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.297 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -63.51 -39.37 94.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 14.1 mmtt -70.5 -36.42 73.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.382 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 114' ' ' VAL . 2.8 t -62.56 -48.54 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -61.97 -40.44 95.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 6.2 pt20 -75.59 -22.39 56.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.892 -175.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -86.62 -10.19 54.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.328 0.585 . . . . 0.0 110.579 178.329 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 110' ' ' VAL . 4.7 t -68.61 -51.33 22.43 Favored Pre-proline 0 N--CA 1.448 -0.528 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.321 -176.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 37.3 Cg_endo -65.89 -23.4 54.86 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 122.121 1.881 . . . . 0.0 112.107 178.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -70.5 -49.7 45.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.716 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -65.25 -36.86 85.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.216 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.401 ' HA ' HD12 ' A' ' 121' ' ' LEU . 0.5 OUTLIER -58.37 -35.97 72.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.531 175.475 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -73.99 -41.1 62.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.541 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.82 90.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.41 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.486 HD22 HG12 ' A' ' 51' ' ' ILE . 9.1 mt -66.48 -43.63 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.871 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 125' ' ' GLN . 0.4 OUTLIER -69.7 -36.06 75.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.62 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -45.64 68.52 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.2 177.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.673 ' HA ' ' HG3' ' A' ' 127' ' ' LYS . 0.5 OUTLIER -69.17 -34.51 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.736 -177.448 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 122' ' ' LEU . 13.1 pt20 -66.05 -33.53 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.5 m -78.34 -9.54 59.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.452 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.673 ' HG3' ' HA ' ' A' ' 124' ' ' GLU . 1.5 mmmm -80.55 -14.14 58.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.226 0.536 . . . . 0.0 109.596 170.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.786 ' HB3' HG22 ' A' ' 44' ' ' ILE . 43.7 mm-40 -100.16 -153.48 0.45 Allowed 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.525 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.691 -0.671 . . . . 0.0 110.106 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.197 -0.361 . . . . 0.0 112.197 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m 67.53 12.19 8.76 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.162 0.585 . . . . 0.0 112.211 176.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -80.64 -32.18 36.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.214 0.53 . . . . 0.0 109.953 176.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.637 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -61.48 -27.6 68.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.218 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -82.36 -38.65 23.89 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.616 -175.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -81.3 -7.25 59.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.166 -176.704 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -103.06 -36.85 8.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.122 174.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.57 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -80.85 -30.41 35.68 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.625 -176.847 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.82 75.58 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.367 0.603 . . . . 0.0 109.651 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.54 ' HB ' ' HA ' ' A' ' 78' ' ' ALA . 1.0 OUTLIER -85.29 -10.9 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.813 179.102 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 0.8 OUTLIER -72.0 -27.82 62.99 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 173.382 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -68.03 -33.17 74.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.383 173.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' A' ' 77' ' ' GLU . 14.4 mt -74.19 -32.47 63.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.519 173.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.476 ' CD2' ' HB1' ' A' ' 78' ' ' ALA . 27.7 m170 -59.82 -37.11 78.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.617 174.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.676 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -58.25 -47.49 83.42 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.997 174.702 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -61.87 -34.54 76.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.969 0.414 . . . . 0.0 110.541 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.471 ' HB3' ' ND2' ' A' ' 93' ' ' ASN . 2.4 t80 -65.2 -44.27 88.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.595 ' HA ' HG21 ' A' ' 96' ' ' THR . . . -72.52 -15.7 61.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.47 -179.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -22.04 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.773 0.321 . . . . 0.0 111.437 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -106.1 -36.79 6.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.238 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.55 -20.67 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.785 0.326 . . . . 0.0 110.556 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -72.53 -57.65 3.31 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.868 -175.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.409 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 38.5 Cg_endo -67.86 -24.42 40.16 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.592 1.528 . . . . 0.0 111.422 177.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.549 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -70.34 -42.6 71.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.007 175.755 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -64.83 -34.08 77.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 109.53 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -69.61 -36.95 76.65 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.649 -1.159 . . . . 0.0 109.642 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -70.96 -51.24 26.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.061 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 43.4 mtt -53.24 -47.51 68.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.606 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -45.31 83.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.053 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -69.51 -39.34 77.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.017 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.29 -49.46 60.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.737 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 32.3 ttm -57.63 -44.13 85.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.42 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -59.25 -48.38 81.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.592 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.58 -25.79 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.274 0.559 . . . . 0.0 110.33 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -78.66 -24.11 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.739 -176.259 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -101.87 -21.09 14.63 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.466 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -61.75 127.02 29.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.956 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.41 91.39 1.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.225 0.536 . . . . 0.0 110.341 179.085 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -64.52 133.46 52.43 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.525 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 40' ' ' ILE . 3.2 tp -107.52 135.23 46.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 174.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.713 HG21 HG12 ' A' ' 47' ' ' ILE . 7.9 m -121.25 145.4 27.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.049 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -113.44 -47.29 3.01 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.4 p -112.35 170.44 8.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.355 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.602 HG21 ' HG3' ' A' ' 129' ' ' GLN . 0.5 OUTLIER -73.34 -25.6 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.953 0.406 . . . . 0.0 109.953 178.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.495 ' N ' HG13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -51.74 -53.29 41.22 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.391 176.638 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -28.65 62.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.9 -177.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.713 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -67.83 -37.33 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.989 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -34.86 51.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.62 -32.6 71.07 Favored Glycine 0 N--CA 1.452 -0.291 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -37.51 82.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.027 -0.586 . . . . 0.0 110.544 175.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 47' ' ' ILE . 5.0 mm -66.82 -41.55 87.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.505 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.573 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 1.2 m -59.03 -25.69 63.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.906 178.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.01 2.97 11.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.47 0.653 . . . . 0.0 111.248 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.489 ' HE1' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -116.36 -23.71 8.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.404 167.701 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.67 -47.26 79.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.066 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -80.41 -17.65 51.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.149 0.499 . . . . 0.0 110.138 176.879 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.432 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 29.6 t80 -69.11 -42.29 76.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.838 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.712 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -62.13 -22.09 65.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.967 175.816 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -33.01 22.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.156 0.503 . . . . 0.0 110.2 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.66 -19.82 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.3 178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.712 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.9 mt -58.21 -57.43 26.12 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.32 -28.22 78.56 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 121.743 1.629 . . . . 0.0 111.937 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -75.4 -45.3 39.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.617 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.55 -34.07 65.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.654 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.48 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 30.6 t70 -61.55 -37.02 82.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.213 0.53 . . . . 0.0 109.735 175.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -45.06 96.26 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.256 175.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -59.6 -42.68 93.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.663 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.549 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 3.6 ttp85 -58.15 -47.58 82.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.714 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.36 -39.24 94.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 0.0 110.399 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.72 -16.19 61.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.851 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -81.37 -39.85 17.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.126 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.496 HD22 ' O ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -69.7 -23.3 63.41 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.773 171.838 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -72.22 -33.52 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.075 176.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 71' ' ' ILE . 39.3 mt -70.88 -45.94 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.045 175.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.524 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -69.87 -13.18 62.13 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.152 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -57.78 -48.8 78.65 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.823 0.344 . . . . 0.0 110.545 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.617 ' HB3' HD13 ' A' ' 13' ' ' LEU . 14.5 tp10 -83.95 -27.6 28.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.283 0.563 . . . . 0.0 109.842 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.54 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -85.35 -1.14 56.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.029 -176.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -121.96 -40.43 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.465 177.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -58.81 -29.61 66.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.665 -174.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.494 HG12 HG21 ' A' ' 10' ' ' ILE . 2.6 pp -65.84 -30.76 51.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.185 0.517 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.22 -30.84 22.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.421 0.629 . . . . 0.0 109.651 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -74.58 -27.64 60.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.804 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 p -80.24 -22.31 41.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.988 0.423 . . . . 0.0 110.425 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.483 ' HB3' HG23 ' A' ' 87' ' ' ILE . 39.2 m-80 -100.23 -155.69 0.52 Allowed 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 177.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -140.95 39.61 1.8 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 171.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.483 HG23 ' HB3' ' A' ' 85' ' ' ASN . 32.0 pt -78.76 170.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.287 -174.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -118.58 81.06 1.63 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.768 -176.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 89' ' ' LEU . 8.2 mt -74.55 -22.0 59.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.683 178.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 m 60.95 53.52 3.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.876 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.56 175.57 13.88 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.25 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -26.31 22.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.1 0.476 . . . . 0.0 110.504 178.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.732 ' HB3' ' O ' ' A' ' 96' ' ' THR . 25.3 t-20 -163.54 129.99 2.35 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.983 -176.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.2 -33.26 3.57 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 123.403 2.735 . . . . 0.0 112.759 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.676 ' HE2' HD22 ' A' ' 15' ' ' LEU . 15.1 m-85 -83.01 -43.88 15.87 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.539 -176.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.732 ' O ' ' HB3' ' A' ' 93' ' ' ASN . 12.3 t -131.43 104.09 6.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.441 0.639 . . . . 0.0 110.753 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.15 72.68 9.2 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.289 -0.882 . . . . 0.0 111.531 -177.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.418 HG23 ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -121.64 116.78 50.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.707 177.407 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.612 ' H ' HD12 ' A' ' 102' ' ' ILE . 64.3 p -77.12 157.85 80.62 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.049 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 45.2 Cg_exo -58.14 -22.78 58.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.536 2.158 . . . . 0.0 111.112 175.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -80.93 -40.66 24.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.198 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.612 HD12 ' H ' ' A' ' 99' ' ' THR . 16.5 mt -59.36 -51.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.045 176.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 tp -65.31 -33.51 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.879 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 m-20 -79.16 -49.19 12.97 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.288 -0.257 . . . . 0.0 111.0 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.3 m -62.71 -34.55 77.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.426 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -65.16 -42.13 94.01 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.586 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.0 t-105 -61.34 -44.42 97.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.019 175.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -41.65 86.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.718 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.439 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 8.0 tttt -67.44 -37.65 83.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.793 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 114' ' ' VAL . 3.0 t -63.9 -48.87 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.227 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 6.2 mm100 -60.01 -43.68 95.06 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.041 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 1.7 pt20 -73.83 -10.93 60.17 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.21 -8.45 29.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.443 0.64 . . . . 0.0 110.198 176.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.638 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 16.2 t -68.82 -54.73 12.29 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.973 -177.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.638 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 21.8 Cg_exo -66.41 -24.95 49.19 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 122.184 1.922 . . . . 0.0 111.68 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -65.13 -49.09 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.809 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.746 ' HE ' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -65.84 -38.28 88.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.276 176.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.577 ' HA ' HD12 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -62.48 -29.77 70.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.123 0.487 . . . . 0.0 110.495 177.867 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -74.43 -42.4 59.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.656 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.45 87.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.471 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.746 HD11 ' HE ' ' A' ' 117' ' ' ARG . 15.9 mt -64.71 -42.64 95.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.552 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.627 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -61.79 -42.86 99.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -47.59 84.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.101 0.477 . . . . 0.0 110.555 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.444 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.57 -39.49 80.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.433 -176.527 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.627 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -71.26 -25.08 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.818 0.342 . . . . 0.0 110.657 179.194 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.7 m -78.8 -17.4 55.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.982 0.42 . . . . 0.0 110.565 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.46 -9.82 59.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.105 0.479 . . . . 0.0 110.216 176.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.448 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 17.8 mm-40 -104.33 -138.93 0.36 Allowed 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.546 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.602 ' HG3' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.632 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.928 0 N-CA-C 112.36 -0.296 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -179.46 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.17 0.588 . . . . 0.0 109.54 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.761 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -57.83 -43.66 85.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.756 -176.794 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.616 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.8 mp0 -58.42 -29.05 65.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.863 -174.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -83.88 -27.16 28.85 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.501 ' OE1' ' HA ' ' A' ' 3' ' ' THR . 46.8 mt-30 -73.26 -36.25 66.34 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 173.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.761 ' HG ' ' O ' ' A' ' 3' ' ' THR . 9.2 mt -73.59 -42.38 61.65 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.722 -178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.616 ' HA ' ' HB2' ' A' ' 11' ' ' ASP . 2.6 tt0 -78.24 -22.93 47.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.204 -176.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.75 -39.35 76.8 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 7' ' ' LEU . 1.5 pp -85.47 -12.09 11.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.469 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.616 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 0.9 OUTLIER -70.48 -26.96 63.86 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 173.373 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -67.7 -33.79 75.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.37 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.733 HD12 ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -80.27 -24.33 40.15 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 174.348 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 8.9 m170 -58.98 -32.84 70.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.935 175.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.643 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -61.91 -41.39 97.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.611 175.199 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.41 -33.56 75.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.698 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -66.61 -42.0 87.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 -19.23 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.6 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -16.33 23.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.788 0.328 . . . . 0.0 111.305 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.462 ' HB3' HD11 ' A' ' 71' ' ' ILE . 15.9 mtt180 -107.45 -39.65 5.58 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.577 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.0 -19.56 64.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.701 0.286 . . . . 0.0 110.621 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -58.39 6.06 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.554 -177.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.67 -26.63 45.79 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.565 1.51 . . . . 0.0 111.593 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -69.13 -40.93 77.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.281 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -69.73 -29.6 67.02 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.523 0.678 . . . . 0.0 109.832 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -72.36 -37.87 68.7 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.496 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -67.55 -50.92 56.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.882 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.699 ' HE1' HG13 ' A' ' 103' ' ' ILE . 37.8 mtm -57.43 -40.42 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.862 -177.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -64.91 -48.7 73.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.118 179.802 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.0 m -68.45 -38.61 81.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.67 0.271 . . . . 0.0 111.258 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.69 -50.79 55.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.0 110.74 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.571 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 15.1 ttm -63.73 -27.06 68.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.602 178.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 1.1 tt0 -64.52 -45.74 85.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.177 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -69.76 -47.91 61.24 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.532 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.21 -28.35 69.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.304 -173.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.571 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -80.03 -33.57 39.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.411 . . . . 0.0 111.414 177.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.13 151.32 23.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.272 0.558 . . . . 0.0 111.836 -173.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.9 121.18 32.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.833 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -70.64 136.21 48.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.983 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.4 tp -109.27 133.81 53.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.834 173.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.467 HG21 HG12 ' A' ' 47' ' ' ILE . 12.1 m -126.82 150.64 32.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.168 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -112.69 -48.66 2.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.13 0.49 . . . . 0.0 109.797 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.1 p -109.55 168.85 9.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.273 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.443 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -71.41 -31.79 44.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.174 0.512 . . . . 0.0 110.323 178.629 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.86 -41.54 61.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.141 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.13 -34.34 72.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.613 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.72 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -64.5 -40.28 88.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.66 -36.19 82.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.165 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.5 -40.07 40.21 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.511 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -55.22 -46.91 75.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.011 -0.595 . . . . 0.0 111.073 175.232 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.72 HG12 ' O ' ' A' ' 47' ' ' ILE . 8.5 mm -63.22 -48.04 89.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.275 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.0 m -58.94 -39.25 81.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.46 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.15 93.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.792 0.329 . . . . 0.0 110.99 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.44 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 4.5 t60 -76.85 -31.47 56.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.334 177.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.5 -52.6 51.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.997 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.93 -20.36 64.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.552 0.692 . . . . 0.0 109.996 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.45 ' HD1' ' HD2' ' A' ' 58' ' ' LYS . 14.7 t80 -67.5 -40.09 85.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.666 175.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' HD2' ' HD1' ' A' ' 57' ' ' PHE . 11.9 mmmm -65.63 -17.59 64.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.959 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' HD2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -90.49 -30.88 17.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.079 178.147 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -74.87 -24.29 58.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.533 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.506 ' HB2' ' HD3' ' A' ' 62' ' ' PRO . 1.8 mt -56.69 -57.23 25.13 Favored Pre-proline 0 C--O 1.221 -0.42 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.138 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 51.1 Cg_exo -56.34 -34.14 93.31 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.966 1.777 . . . . 0.0 112.235 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -67.03 -54.61 19.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.213 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.39 -27.34 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.253 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 34.2 t70 -68.97 -27.97 66.2 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.273 0.559 . . . . 0.0 110.285 177.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -28.18 40.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.061 0.457 . . . . 0.0 109.905 173.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.43 ' OE1' ' HD3' ' A' ' 20' ' ' ARG . 5.6 mm-40 -68.89 -43.53 75.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.207 178.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 6.2 ptm180 -59.42 -35.26 73.65 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 120.813 0.34 . . . . 0.0 110.486 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -73.98 -37.91 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.293 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.15 -22.63 62.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.195 0.522 . . . . 0.0 110.885 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.462 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -82.71 -39.06 15.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.753 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -69.24 -26.73 64.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.372 174.239 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.83 78.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.52 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 71' ' ' ILE . 19.4 mt -65.62 -47.89 84.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.517 0.675 . . . . 0.0 109.791 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -67.81 -16.84 64.3 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.906 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -37.29 82.4 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 122.17 -0.331 . . . . 0.0 110.801 -177.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.38 -29.38 16.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.341 0.591 . . . . 0.0 109.873 177.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.733 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -92.92 -0.34 57.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.715 -173.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.6 OUTLIER -119.33 -43.4 2.62 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.282 176.286 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.7 OUTLIER -56.9 -28.83 62.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.173 -175.039 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.467 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 2.5 pp -63.51 -33.58 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.191 0.519 . . . . 0.0 110.637 178.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.61 -7.96 56.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.14 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -98.16 -13.31 20.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.176 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.4 m -83.71 -28.48 28.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.622 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.77 171.42 12.25 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -81.54 55.33 2.61 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 172.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.481 ' HA ' HD13 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -95.36 130.34 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.292 -174.155 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.5 91.52 2.94 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.687 -177.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -53.64 -54.74 33.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.588 179.535 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.69 -44.0 0.11 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.758 0.79 . . . . 0.0 108.893 177.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.58 -152.67 9.32 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.399 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.41 -34.55 77.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.15 0.5 . . . . 0.0 110.843 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.627 ' HB2' ' O ' ' A' ' 96' ' ' THR . 0.2 OUTLIER -141.4 124.27 9.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.16 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -86.84 -49.08 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.748 2.299 . . . . 0.0 113.817 -175.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.643 ' HE2' HD22 ' A' ' 15' ' ' LEU . 23.2 m-85 -99.76 -59.6 1.69 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.714 0.292 . . . . 0.0 110.987 -173.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.627 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 7.4 t -96.72 147.19 24.17 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.25 61.45 1.72 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.827 0.823 . . . . 0.0 111.76 -176.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.3 m -134.7 153.45 35.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.326 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.8 p -124.44 166.62 18.76 Favored Pre-proline 0 C--N 1.316 -0.854 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.604 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 49.5 Cg_exo -57.42 -24.86 63.05 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.25 1.967 . . . . 0.0 111.531 173.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -79.15 -48.26 14.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.055 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 mt -57.12 -44.41 83.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.113 0.482 . . . . 0.0 110.569 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.699 HG13 ' HE1' ' A' ' 28' ' ' MET . 0.2 OUTLIER -69.27 -35.33 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.453 -179.73 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.604 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 t-20 -77.04 -49.54 15.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.203 -177.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.6 p -54.61 -40.46 68.91 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.785 0.326 . . . . 0.0 111.223 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -66.91 -47.55 71.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.991 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -57.92 -42.21 84.32 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.989 0.424 . . . . 0.0 110.283 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.1 -46.35 90.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.682 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -62.73 -37.08 85.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.415 179.267 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 114' ' ' VAL . 3.0 t -62.74 -48.81 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.188 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.42 ' NE2' HD13 ' A' ' 61' ' ' LEU . 13.0 mm-40 -61.28 -42.2 98.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.695 -177.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.5 pt20 -74.52 -21.91 59.3 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 mt -88.08 -10.52 49.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.342 0.591 . . . . 0.0 110.561 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 110' ' ' VAL . 16.3 t -68.31 -52.18 22.34 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.716 -175.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.522 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 34.9 Cg_exo -61.1 -35.48 86.42 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.307 2.004 . . . . 0.0 112.206 178.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -62.9 -47.75 81.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 110.307 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -65.41 -36.68 84.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.565 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.55 -30.56 71.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.238 0.542 . . . . 0.0 110.352 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -78.81 -44.84 22.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.41 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.688 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.625 HD22 HD13 ' A' ' 51' ' ' ILE . 30.3 mt -61.61 -49.97 74.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.654 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.706 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 9.5 mt -61.36 -45.65 93.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.76 -42.2 92.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.235 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.96 -35.46 43.07 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.659 0.266 . . . . 0.0 111.587 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.706 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.7 pt20 -69.98 -25.82 63.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.737 0.303 . . . . 0.0 110.739 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.5 m -73.95 -11.08 60.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.856 0.36 . . . . 0.0 110.754 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -93.47 -5.23 49.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.926 0.394 . . . . 0.0 110.453 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -88.77 -128.72 0.07 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.495 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.254 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 112.245 -0.342 . . . . 0.0 112.245 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.41 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 14.3 m 74.14 -40.98 0.47 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.68 0.792 . . . . 0.0 112.493 178.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -33.9 71.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.737 0.303 . . . . 0.0 111.633 -178.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -75.94 -11.87 60.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.06 0.457 . . . . 0.0 110.468 -179.451 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 2' ' ' SER . 43.2 mttt -99.35 -24.43 14.82 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.642 -0.874 . . . . 0.0 108.642 178.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -66.59 -45.87 77.8 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.364 170.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.572 ' CD2' ' HA ' ' A' ' 4' ' ' GLU . 3.6 pp -73.3 -31.59 64.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.787 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -75.39 -28.75 59.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.978 0.418 . . . . 0.0 110.318 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.94 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.216 0.531 . . . . 0.0 109.906 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 7' ' ' LEU . 1.3 pp -77.87 -11.55 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.411 178.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.0 OUTLIER -70.74 -26.37 63.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.698 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -73.58 -27.15 61.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.328 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.474 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . 50.4 mt -72.58 -36.26 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 170.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 41.1 m170 -59.49 -38.15 80.11 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.647 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.637 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.78 -46.86 86.55 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.745 173.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -66.56 -31.03 71.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.044 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.606 ' HB3' HG21 ' A' ' 96' ' ' THR . 1.6 t80 -71.73 -45.15 62.68 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.21 -24.81 63.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.751 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -34.33 48.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.858 0.361 . . . . 0.0 110.598 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.38 -38.16 16.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.647 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.14 -18.95 64.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.634 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -65.17 -59.54 9.69 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.933 -177.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 56.7 Cg_endo -71.45 -27.45 19.08 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.435 1.423 . . . . 0.0 111.893 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.46 ' HE1' ' HB1' ' A' ' 64' ' ' ALA . 0.8 OUTLIER -65.38 -43.99 88.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.008 177.662 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -71.09 -28.31 64.24 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.003 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -66.78 -40.63 88.24 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.608 0.718 . . . . 0.0 109.17 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -65.65 -48.3 72.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.807 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.506 ' HE2' ' HB2' ' A' ' 107' ' ' TRP . 26.4 mtt -62.52 -16.73 57.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.599 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' OE1' ' HA ' ' A' ' 29' ' ' GLU . 4.9 mm-40 -85.12 -65.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.569 0.223 . . . . 0.0 110.501 175.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.9 m -61.78 -43.22 99.28 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.34 74.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 111.084 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' A' ' 109' ' ' LYS . 16.6 ttm -64.52 -36.44 84.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.602 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -67.39 -37.7 83.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.34 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.25 -34.3 49.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.227 0.537 . . . . 0.0 110.608 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 113' ' ' LEU . 2.1 mp -70.08 -38.17 75.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.814 -178.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -38.99 72.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.855 -178.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.09 143.85 47.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.833 0.349 . . . . 0.0 111.555 -173.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.3 tpt -70.12 127.62 33.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.903 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -85.89 134.65 33.88 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.189 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.3 tp -104.54 127.2 59.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 121.647 0.737 . . . . 0.0 110.028 176.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.581 HG21 HD12 ' A' ' 47' ' ' ILE . 33.4 m -126.78 148.8 31.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.509 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -124.34 -40.74 2.22 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.902 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 p -113.04 166.53 11.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.479 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.485 HD12 HG22 ' A' ' 47' ' ' ILE . 3.3 tp -65.31 -39.55 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.672 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.18 -38.64 77.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.062 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.6 -52.0 65.11 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.478 0.18 . . . . 0.0 110.879 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.691 HD11 ' HB3' ' A' ' 124' ' ' GLU . 1.8 tt -68.01 -29.38 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-O 120.822 0.344 . . . . 0.0 110.146 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -27.63 63.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.82 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.92 -35.68 11.06 Favored Glycine 0 CA--C 1.506 -0.505 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -48.87 -46.52 42.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.832 -0.684 . . . . 0.0 111.3 172.403 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.8 mm -66.49 -36.35 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.204 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.13 -31.25 72.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.004 0.431 . . . . 0.0 110.769 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.71 -24.5 66.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.897 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.43 ' HD2' ' OD1' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -91.17 -28.07 18.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.222 176.793 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.1 -50.08 69.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.392 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -71.38 -18.76 62.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.902 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -66.57 -36.07 81.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.127 0.489 . . . . 0.0 110.103 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.551 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.37 -12.76 61.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.977 177.816 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.72 -26.63 13.1 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.88 -28.9 29.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.4 . . . . 0.0 110.559 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 61' ' ' LEU . 4.2 mt -55.75 -58.13 17.55 Favored Pre-proline 0 C--O 1.221 -0.403 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.098 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 12.4 Cg_endo -55.96 -34.06 90.94 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.193 1.928 . . . . 0.0 112.744 -177.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.54 -48.73 59.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.059 0.457 . . . . 0.0 110.326 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.46 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -72.05 -31.92 66.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.694 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.4 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 14.8 t70 -64.02 -43.29 96.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.741 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.56 -31.06 72.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.215 0.531 . . . . 0.0 110.285 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -70.38 -32.92 70.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.241 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -63.6 -33.68 76.15 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.955 0.407 . . . . 0.0 110.252 178.371 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -35.7 65.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.851 176.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.47 -13.19 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.54 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -92.0 -37.41 8.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 72' ' ' LEU . 9.0 mt -70.92 -23.67 62.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.497 175.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.74 -18.05 65.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.186 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 71' ' ' ILE . 11.9 mt -86.91 -36.93 10.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.708 0.766 . . . . 0.0 109.929 175.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.519 ' CE1' ' HG2' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -71.67 -30.62 65.92 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.798 -174.228 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -62.3 -32.17 72.88 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.013 -176.647 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.485 ' N ' ' HD3' ' A' ' 76' ' ' LYS . 4.3 tp10 -89.24 -31.41 17.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.177 0.513 . . . . 0.0 110.469 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 13' ' ' LEU . . . -95.31 4.8 53.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -175.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -122.91 -51.15 1.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 177.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 ptt-85 -56.88 -29.78 63.26 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.494 0.497 . . . . 0.0 111.119 -173.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 82' ' ' ALA . 1.9 pp -56.05 -44.37 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.018 0.437 . . . . 0.0 110.163 177.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.84 ' HB1' HG22 ' A' ' 87' ' ' ILE . . . -76.81 -34.78 57.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.482 -176.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.38 2.36 11.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.6 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.3 m -117.08 -1.43 11.9 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.836 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.583 ' ND2' ' HA ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -151.47 -171.88 4.06 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -173.043 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 85.38 1.01 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.408 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.84 HG22 ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -28.84 112.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 O-C-N 124.768 1.292 . . . . 0.0 113.585 177.68 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.32 78.6 1.69 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.121 178.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -120.53 36.39 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.246 -178.803 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 m 61.84 33.45 17.65 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.603 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.56 -110.09 2.63 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.853 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.82 -48.3 3.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.002 0.429 . . . . 0.0 110.44 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.19 121.45 4.33 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.863 -175.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.53 -64.29 0.05 OUTLIER 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.575 2.183 . . . . 0.0 111.965 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.637 ' CD2' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -119.88 -41.68 2.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.764 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.606 HG21 ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -77.32 74.15 3.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.624 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 m -61.08 -37.17 81.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.763 0.792 . . . . 0.0 109.737 171.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.524 HG13 HG22 ' A' ' 96' ' ' THR . 0.4 OUTLIER -59.44 106.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.37 -1.286 . . . . 0.0 111.109 175.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.693 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -90.33 163.28 31.8 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.11 176.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.693 ' HD2' HG22 ' A' ' 99' ' ' THR . 81.8 Cg_exo -49.09 -37.49 38.27 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.238 2.625 . . . . 0.0 112.834 177.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -72.9 -35.29 67.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.189 -177.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.558 HD12 ' OG1' ' A' ' 99' ' ' THR . 3.5 mt -63.83 -47.38 91.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -33.51 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.372 -178.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -76.41 -42.81 42.93 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.039 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.6 p -61.47 -39.78 92.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.808 0.337 . . . . 0.0 110.724 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -63.14 -46.72 85.92 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.58 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.506 ' HB2' ' HE2' ' A' ' 28' ' ' MET . 70.7 t-105 -61.79 -42.55 99.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.397 176.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -62.57 -41.76 99.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.323 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.418 ' HB3' ' CE ' ' A' ' 32' ' ' MET . 0.1 OUTLIER -60.54 -40.96 93.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.471 176.457 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.38 -43.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.377 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -60.63 -44.25 96.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.511 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.51 -11.98 59.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.488 ' HB3' HD23 ' A' ' 35' ' ' LEU . 3.3 mt -85.89 -15.97 40.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.909 0.385 . . . . 0.0 110.331 178.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.458 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 57.7 t -62.79 -57.82 19.82 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.108 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.458 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 24.6 Cg_endo -63.31 -31.86 73.18 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.171 1.914 . . . . 0.0 112.12 178.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -51.88 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.368 0.604 . . . . 0.0 110.414 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -70.47 -33.99 71.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.557 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.43 ' OD1' ' HD2' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -62.76 -34.3 76.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.274 0.559 . . . . 0.0 109.919 178.867 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -72.34 -44.71 62.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.996 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.45 87.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.032 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.486 HD22 HD13 ' A' ' 51' ' ' ILE . 38.9 mt -70.82 -50.26 37.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.368 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.475 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.9 OUTLIER -77.73 0.39 23.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.844 -175.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.09 -14.13 16.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.144 0.497 . . . . 0.0 109.757 172.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.691 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -102.84 -48.23 4.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.357 -174.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.545 ' HA ' HD13 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -67.79 -20.11 65.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.719 -174.553 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.44 -20.26 58.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.856 0.36 . . . . 0.0 110.784 178.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 5.47 50.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.01 0.434 . . . . 0.0 110.405 178.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.542 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 4.0 mm-40 -84.56 -130.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.31 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.542 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 1.2 pt20 . . . . . 0 C--O 1.247 0.922 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.545 ' HB2' ' HG2' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -80.16 75.63 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.261 0.553 . . . . 0.0 110.809 179.095 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.709 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -65.59 -48.03 73.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.494 -177.64 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.672 ' HA ' HD12 ' A' ' 7' ' ' LEU . 26.0 pm0 -60.93 -28.74 69.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.99 -172.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.545 ' HG2' ' HB2' ' A' ' 2' ' ' SER . 0.2 OUTLIER -85.04 -20.44 30.43 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -174.437 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.493 ' O ' HG12 ' A' ' 10' ' ' ILE . 15.5 mm100 -84.95 -28.37 25.9 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.545 174.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 3' ' ' THR . 11.8 mt -73.74 -50.41 20.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.632 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.7 -31.41 41.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.114 -169.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.41 -34.35 67.79 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.594 -176.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 81' ' ' ILE . 1.1 pp -87.63 -16.04 9.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.254 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 5.7 t70 -73.23 -27.42 61.59 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.04 176.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -74.31 -7.83 54.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.905 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -113.33 -5.51 13.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 170.652 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -61.92 -39.91 93.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.832 177.557 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.735 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.55 -21.47 61.88 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.32 -176.616 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.84 -40.31 87.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.908 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER -62.64 -47.46 83.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.223 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.53 -24.58 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.647 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -83.23 -26.84 30.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.596 0.236 . . . . 0.0 111.045 179.231 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.555 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -91.96 -36.95 13.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.882 0.372 . . . . 0.0 110.782 -179.315 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.46 -22.73 64.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.368 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.479 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -64.04 -59.62 10.79 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.112 -175.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.479 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 47.5 Cg_endo -69.57 -29.51 24.64 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.576 1.517 . . . . 0.0 111.677 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.499 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 3.4 t80 -65.83 -42.32 90.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.683 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.46 -26.13 60.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.317 0.58 . . . . 0.0 109.945 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -74.82 -38.1 62.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.373 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -66.72 -47.63 71.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.867 177.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 6.2 mtm -60.88 -36.13 78.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.932 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 21.1 mm-40 -61.0 -55.46 32.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.676 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -39.53 90.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.49 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.267 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.526 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 15.1 ttm -68.31 -25.49 65.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.444 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -68.09 -44.56 75.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.196 177.807 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.88 -46.77 70.74 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.649 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.98 -27.94 69.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.201 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -69.74 -32.18 70.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.009 178.7 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -78.59 -176.63 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.115 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.28 144.58 49.9 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.513 177.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -100.45 135.41 41.93 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.282 0.563 . . . . 0.0 111.087 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.0 tp -120.26 137.38 54.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.486 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.875 HG21 HG12 ' A' ' 47' ' ' ILE . 8.8 m -126.72 151.51 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -104.67 -59.84 1.68 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.174 0.512 . . . . 0.0 109.714 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.581 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -105.49 172.5 6.76 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.113 -177.102 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.551 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -69.75 -31.14 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 110.85 -175.331 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.581 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 1.5 mp0 -62.08 -34.55 76.5 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 177.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -73.39 -36.19 66.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.282 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.875 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -65.24 -39.55 85.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.162 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -74.27 -30.97 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.375 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.03 -37.82 87.92 Favored Glycine 0 CA--C 1.505 -0.559 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.526 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -62.07 -48.93 78.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.724 -0.738 . . . . 0.0 110.593 172.237 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.768 HG12 ' O ' ' A' ' 47' ' ' ILE . 19.4 mm -56.22 -51.22 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.67 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 m -54.78 -37.42 65.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.36 66.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.24 0.543 . . . . 0.0 111.208 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 6.7 t60 -91.42 -29.58 16.98 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.803 175.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -62.41 -49.12 76.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.627 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -71.98 -21.56 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.261 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.508 ' HE2' HG22 ' A' ' 114' ' ' VAL . 45.8 t80 -65.62 -35.3 80.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.731 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HE2' ' HB3' ' A' ' 58' ' ' LYS . 1.5 mmmm -70.85 -18.95 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.498 0.665 . . . . 0.0 109.827 178.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 m -87.82 -33.26 18.67 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.542 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -21.19 54.92 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.641 0.258 . . . . 0.0 111.407 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.618 ' HB2' ' HD3' ' A' ' 62' ' ' PRO . 2.6 mt -54.46 -57.87 16.68 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.081 -177.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.618 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 49.0 Cg_exo -56.27 -35.38 95.63 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.205 1.937 . . . . 0.0 112.884 -177.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -69.65 -54.42 14.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.122 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.407 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -67.24 -33.51 75.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.045 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.539 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 22.2 t70 -61.37 -47.14 87.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.427 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 4.2 mmm180 -65.23 -33.1 75.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.442 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -60.85 -43.88 97.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.528 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.499 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -59.37 -37.29 77.55 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.966 0.413 . . . . 0.0 110.536 179.524 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.65 -43.14 66.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.361 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.01 -19.16 65.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.147 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.555 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -84.23 -40.04 15.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -179.267 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.41 -22.49 61.85 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.417 175.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.01 -44.48 80.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.414 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 71' ' ' ILE . 13.0 mt -62.22 -42.4 95.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.542 0.687 . . . . 0.0 109.879 175.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.549 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -66.19 -24.86 66.7 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.85 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.499 ' HA ' ' HD3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -61.64 -44.43 96.98 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.334 178.311 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -83.18 -23.56 32.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -177.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.515 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -103.0 6.44 38.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.291 -176.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -124.34 -42.28 2.12 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.593 175.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.569 ' HA ' ' HB2' ' A' ' 83' ' ' GLU . 20.8 ptt85 -59.93 -22.03 61.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 -176.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 10' ' ' ILE . 2.1 pp -65.2 -34.43 70.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-O 121.156 0.503 . . . . 0.0 110.578 176.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB2' HD11 ' A' ' 87' ' ' ILE . . . -88.42 -19.46 26.51 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.659 0.742 . . . . 0.0 109.659 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 80' ' ' ARG . 88.6 mt-10 -79.6 -7.5 58.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.262 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.51 -39.34 8.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.698 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.74 144.8 37.65 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -175.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -74.32 81.85 1.88 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.723 -172.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 82' ' ' ALA . 1.2 pp -100.35 165.81 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.813 173.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.48 94.16 2.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.662 175.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mt -48.25 -66.08 0.46 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.734 0.646 . . . . 0.0 111.11 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.63 35.44 0.36 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.32 0.581 . . . . 0.0 109.951 175.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.47 -64.64 3.99 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.452 ' HB2' ' H ' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -103.12 -118.69 0.2 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.103 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.452 ' H ' ' HB2' ' A' ' 92' ' ' SER . 0.5 OUTLIER -152.05 138.72 12.06 Favored Pre-proline 0 C--N 1.33 -0.255 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.65 -51.82 3.69 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.992 2.461 . . . . 0.0 113.245 -175.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.408 ' CE2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -111.78 -39.75 4.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -177.03 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.84 70.16 10.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.753 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.03 47.52 1.51 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.393 1.092 . . . . 0.0 110.14 175.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.81 111.9 12.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.508 -176.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.589 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -80.85 148.99 66.36 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.676 -179.115 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.589 ' HD2' HG22 ' A' ' 99' ' ' THR . 10.7 Cg_endo -54.81 -39.2 91.01 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.821 2.347 . . . . 0.0 112.281 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -65.02 -36.99 86.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.347 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.1 mp -64.3 -33.03 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.988 -176.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -93.89 -34.82 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 120.73 0.3 . . . . 0.0 111.644 -178.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -76.91 -43.43 35.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.675 0.274 . . . . 0.0 111.375 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 m -74.91 -24.46 58.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.571 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 3.4 mttt -68.08 -38.37 82.3 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 174.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.539 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 67.4 t-105 -60.2 -42.15 94.5 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 174.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.59 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.565 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.512 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 18.5 mttm -64.94 -40.64 95.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.076 0.465 . . . . 0.0 109.975 174.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 114' ' ' VAL . 43.0 t -62.86 -48.14 89.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.046 176.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -61.39 -31.67 71.58 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.386 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.4 pt20 -70.58 -23.39 62.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.7 mt -98.3 -8.61 26.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.316 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 110' ' ' VAL . 86.3 t -67.12 -56.32 13.61 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.683 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 21.4 Cg_endo -60.71 -33.43 93.17 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.853 -178.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -63.24 -48.79 76.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.213 0.53 . . . . 0.0 110.308 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.3 tpp85 -74.21 -29.42 61.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.66 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -33.85 76.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.185 0.517 . . . . 0.0 110.041 176.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -88.61 -44.26 10.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.662 -175.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 124' ' ' GLU . . . -61.53 -38.35 87.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.972 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 51' ' ' ILE . 18.4 mt -67.78 -48.25 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.625 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.476 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -58.29 -44.79 88.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.237 178.689 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -45.25 88.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.682 0.277 . . . . 0.0 110.875 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.542 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.49 -42.4 87.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.554 -178.86 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.509 ' HB3' HD11 ' A' ' 51' ' ' ILE . 1.1 pt20 -67.74 -26.23 66.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 110.557 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.6 m -78.83 -16.26 57.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.621 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -87.63 4.47 43.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.32 0.581 . . . . 0.0 110.375 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -106.45 -138.74 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.587 175.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.992 0 CA-C-O 119.001 -0.523 . . . . 0.0 109.763 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 111.704 -0.559 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.04 -28.2 14.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.624 0.249 . . . . 0.0 111.233 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -45.47 91.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 -176.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.524 ' HA ' HD21 ' A' ' 7' ' ' LEU . 12.6 pm0 -74.89 -5.45 43.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.07 0.462 . . . . 0.0 111.176 -178.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -101.36 -29.67 11.91 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -59.31 -50.47 73.86 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.146 170.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.524 HD21 ' HA ' ' A' ' 4' ' ' GLU . 1.9 pp -71.46 -33.86 69.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.975 -173.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -75.71 -37.09 59.75 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.25 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.29 -36.75 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 110.163 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.446 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.3 pp -79.07 -17.6 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.637 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 7.7 t70 -73.27 -27.6 61.65 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -72.36 -16.58 61.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.105 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -105.39 -6.56 19.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.169 0.509 . . . . 0.0 109.737 171.687 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.567 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -60.59 -34.43 74.2 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.029 175.528 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.88 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.47 -26.55 46.1 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.753 -179.698 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.9 mm-40 -63.44 -39.02 93.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.939 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -57.98 -51.16 70.81 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 172.773 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.58 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.717 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -34.89 43.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.454 179.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -87.1 -37.11 17.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 111.299 -179.376 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB3' HG21 ' A' ' 98' ' ' VAL . . . -66.91 -20.72 65.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.746 178.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -65.21 -61.18 6.45 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.068 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 44.3 Cg_endo -69.42 -27.02 28.58 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.535 1.49 . . . . 0.0 111.906 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.505 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.0 t80 -67.19 -43.11 82.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.199 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -67.83 -28.61 67.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.446 0.641 . . . . 0.0 109.664 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.95 -37.33 78.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.913 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -65.91 -47.85 73.41 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.319 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 24' ' ' PHE . 33.3 mtt -55.36 -42.13 73.49 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.907 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -59.24 -58.54 8.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.437 177.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -57.09 -40.63 77.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.303 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.45 -55.0 10.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.334 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.66 ' HE2' HG23 ' A' ' 110' ' ' VAL . 11.1 ttm -62.9 -34.97 78.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.211 -177.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -75.25 -37.07 61.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.38 -179.348 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.82 -42.06 91.04 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 1.2 mp -71.15 -25.06 62.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.648 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.5 OUTLIER -79.17 -40.94 29.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 177.753 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -72.47 168.6 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.3 0.571 . . . . 0.0 111.377 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.24 144.77 29.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.486 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -104.02 113.96 27.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.111 0.482 . . . . 0.0 110.711 -177.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 mm -93.65 127.03 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 121.198 0.523 . . . . 0.0 109.853 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.606 HG21 HG12 ' A' ' 47' ' ' ILE . 28.7 m -120.76 143.05 34.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.008 -176.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -102.28 -44.06 5.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.327 0.584 . . . . 0.0 109.72 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.74 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -126.99 162.44 25.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.787 -177.343 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -67.83 -24.13 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.93 -177.374 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.74 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -54.47 -44.37 72.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.277 0.56 . . . . 0.0 109.729 174.242 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -74.48 -34.44 63.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.471 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.677 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -64.06 -37.84 80.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.379 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -31.04 62.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.291 0.567 . . . . 0.0 109.482 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.06 -36.31 64.34 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -59.73 -43.97 93.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.899 -0.651 . . . . 0.0 110.365 174.017 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.677 HG12 ' O ' ' A' ' 47' ' ' ILE . 8.9 mm -61.63 -43.35 96.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.795 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 55' ' ' ASP . 16.5 m -62.12 -27.39 68.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.227 178.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.75 -5.14 38.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.996 0.427 . . . . 0.0 111.068 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -111.81 -31.6 6.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.071 0.462 . . . . 0.0 109.768 171.245 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 52' ' ' SER . 50.9 t0 -65.42 -50.3 65.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.794 176.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.548 ' HA ' ' OG ' ' A' ' 59' ' ' SER . 17.5 mm-40 -76.17 -15.44 60.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.245 0.545 . . . . 0.0 110.275 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 42.5 t80 -73.5 -32.01 64.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.834 173.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.758 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -73.74 -15.96 61.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.434 175.809 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.548 ' OG ' ' HA ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -89.03 -25.19 22.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.543 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -32.04 34.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.932 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.758 HD12 ' HE3' ' A' ' 58' ' ' LYS . 3.8 mt -53.02 -51.53 73.98 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -175.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 9.5 Cg_endo -52.46 -36.91 71.75 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.504 2.136 . . . . 0.0 113.473 -178.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -88.72 -34.38 17.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.614 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.7 88.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.664 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.402 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 18.1 t70 -63.35 -38.98 93.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.434 0.635 . . . . 0.0 109.389 175.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 66' ' ' ARG . 10.5 mtp-105 -62.77 -38.76 91.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.313 176.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -60.2 -46.32 90.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.54 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.505 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -59.27 -37.21 77.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.386 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -71.04 -40.84 71.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.525 176.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.79 -15.21 61.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.456 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.472 HG21 HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -89.18 -38.93 11.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' ' 100' ' ' PRO . 2.2 mt -69.92 -28.23 65.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.165 174.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.52 -40.64 92.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.241 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.8 mt -65.42 -36.95 78.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.818 0.818 . . . . 0.0 109.834 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 78' ' ' ALA . 0.1 OUTLIER -77.87 -16.49 58.23 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.024 -177.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -61.79 -42.74 99.39 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.746 -175.827 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.28 -26.79 23.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.225 0.536 . . . . 0.0 109.869 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -79.09 -7.37 58.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.328 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -115.46 -30.08 6.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.088 174.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.567 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -60.88 -28.2 68.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.663 0.268 . . . . 0.0 110.801 -176.538 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.649 HD11 HD23 ' A' ' 89' ' ' LEU . 1.4 pp -64.7 -42.01 93.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.96 0.41 . . . . 0.0 110.33 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.95 -21.4 47.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.413 0.625 . . . . 0.0 110.418 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -77.37 -13.66 59.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.61 176.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.4 m -94.73 -44.8 7.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.121 0.486 . . . . 0.0 109.998 176.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.525 ' HB2' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -128.74 126.89 40.96 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 176.614 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.3 72.42 0.3 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.453 0.47 . . . . 0.0 110.253 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.525 HG23 ' HB2' ' A' ' 85' ' ' ASN . 2.2 pt -104.37 160.77 4.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.279 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.45 74.57 3.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.541 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.649 HD23 HD11 ' A' ' 81' ' ' ILE . 1.8 mp -20.23 -86.0 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 O-C-N 125.125 1.515 . . . . 0.0 113.733 -175.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.59 29.48 7.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.009 0.433 . . . . 0.0 110.56 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.56 -58.88 4.14 Favored Glycine 0 C--N 1.33 0.22 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.986 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.47 -160.24 1.04 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.47 105.37 15.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -66.06 -58.24 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.538 2.158 . . . . 0.0 112.702 -176.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.493 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -120.14 -31.78 4.33 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.546 0.688 . . . . 0.0 109.367 -179.771 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.42 72.32 7.29 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.21 -0.905 . . . . 0.0 112.289 -177.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.6 m -67.34 -36.43 81.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.807 0.813 . . . . 0.0 109.49 170.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -63.32 123.53 16.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.241 176.226 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.41 ' H ' HD12 ' A' ' 102' ' ' ILE . 57.2 p -102.07 166.86 11.37 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.195 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.583 ' HB3' HD21 ' A' ' 72' ' ' LEU . 32.8 Cg_exo -60.41 -32.43 93.87 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.415 2.076 . . . . 0.0 111.171 172.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -43.69 69.97 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.66 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.473 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 3.6 mt -56.28 -51.66 60.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.387 177.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.472 HD13 HG21 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -72.11 -37.52 60.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.629 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 7.5 t30 -76.76 -49.35 16.16 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.092 -0.38 . . . . 0.0 111.578 -176.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.2 m -68.79 -30.26 68.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.3 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 17.9 mtpt -71.41 -34.26 70.18 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.305 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.402 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 60.2 t-105 -62.59 -45.63 92.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.092 0.472 . . . . 0.0 109.947 175.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.37 -33.11 75.19 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.343 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.72 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -68.04 -37.39 81.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.5 175.113 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.66 HG23 ' HE2' ' A' ' 32' ' ' MET . 2.2 t -63.82 -48.94 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.738 177.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.556 HE22 HD13 ' A' ' 61' ' ' LEU . 36.0 mm-40 -61.9 -37.56 85.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.223 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.72 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -76.37 -5.79 48.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.813 -178.093 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 109' ' ' LYS . 7.1 mt -102.41 -7.54 21.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.443 0.64 . . . . 0.0 110.28 176.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.603 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 69.6 t -71.91 -52.64 7.59 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.587 -175.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.603 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 40.6 Cg_exo -57.8 -46.83 23.92 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.554 2.169 . . . . 0.0 113.353 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -58.21 -37.1 74.14 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.971 0.415 . . . . 0.0 111.036 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.89 -39.22 56.84 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.224 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -30.82 70.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.22 0.533 . . . . 0.0 110.245 177.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -79.82 -44.15 21.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.134 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.25 83.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.813 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.431 HD22 HD13 ' A' ' 51' ' ' ILE . 31.7 mt -62.47 -47.24 84.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.295 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.709 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -63.03 -36.81 84.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.945 177.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -58.17 -48.7 79.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 110.586 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.672 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -72.26 -41.88 66.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.875 -177.221 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.709 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.4 pt20 -62.28 -28.08 69.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.695 0.284 . . . . 0.0 111.119 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 m -92.67 -4.62 52.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.207 0.527 . . . . 0.0 110.533 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -98.56 -0.16 43.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.161 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 124' ' ' GLU . 90.0 mm-40 -86.57 -134.54 0.07 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.72 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.096 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.37 -37.67 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.793 -0.239 . . . . 0.0 110.864 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -50.49 72.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -174.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.673 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -80.5 -6.59 58.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.695 0.283 . . . . 0.0 111.434 -173.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.46 -35.3 10.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.198 0.523 . . . . 0.0 109.829 178.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -68.34 -27.38 66.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.966 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -88.09 -31.73 19.08 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 175.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.598 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 17.3 tt0 -66.8 -39.98 87.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.629 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.8 82.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.93 -178.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 7' ' ' LEU . 1.5 pp -84.41 -6.56 10.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.18 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 1.5 t0 -87.95 -22.91 24.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.112 0.482 . . . . 0.0 110.171 175.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.559 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 96.7 mm-40 -89.97 -16.41 29.94 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 175.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.722 HD23 ' HB2' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -77.01 -41.37 43.01 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 112.846 -1.979 . . . . 0.0 108.501 167.446 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.555 ' CD2' ' HB1' ' A' ' 78' ' ' ALA . 12.5 m170 -55.37 -32.18 62.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.723 171.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' HE2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.76 -45.59 78.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.257 -179.13 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -30.94 69.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.327 -179.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.486 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.2 t80 -69.65 -46.81 65.3 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.43 -11.58 60.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.217 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.641 ' HE2' HD13 ' A' ' 15' ' ' LEU . 1.6 mptp? -90.18 -31.19 17.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.831 176.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.773 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -94.89 -42.48 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.706 0.289 . . . . 0.0 111.675 -177.584 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -70.75 -15.15 62.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.95 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -74.48 -55.68 2.65 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.165 -175.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 15.1 Cg_exo -69.47 -26.81 28.57 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.76 1.64 . . . . 0.0 111.474 175.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.691 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.3 t80 -68.75 -41.91 78.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.424 177.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 64.1 t30 -69.81 -30.68 68.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.384 0.611 . . . . 0.0 109.5 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -71.99 -37.48 69.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.359 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -63.68 -45.48 89.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.604 175.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 56.7 mtt -62.77 -39.03 92.93 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.537 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 7.9 mm-40 -60.21 -48.27 82.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 177.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.0 m -62.15 -45.12 94.86 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.481 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.77 -49.52 65.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.8 ttm -63.51 -30.57 71.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 -177.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -85.27 -40.18 16.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.331 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.78 -45.83 91.06 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.599 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 5.8 mp -71.26 -23.22 61.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.034 -175.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.02 -24.08 21.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.388 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.77 155.72 32.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.375 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.0 ttm -94.4 136.74 34.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.734 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 121' ' ' LEU . 32.3 p90 -101.98 135.93 42.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.209 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 40' ' ' ILE . 5.7 tp -119.23 137.11 54.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 173.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 47' ' ' ILE . 27.8 m -125.75 156.59 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.975 -175.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -115.17 -39.17 3.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.239 0.542 . . . . 0.0 109.829 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.557 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -130.46 172.11 12.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.688 -176.28 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -76.4 -25.63 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.108 0.48 . . . . 0.0 110.122 -179.178 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.557 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 3.0 mp0 -56.97 -47.16 81.42 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.548 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -77.57 -25.56 50.12 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.084 178.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.776 HG13 ' HG3' ' A' ' 128' ' ' GLN . 0.1 OUTLIER -65.07 -38.37 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.443 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -74.58 -29.64 61.41 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.479 ' N ' ' HG3' ' A' ' 48' ' ' GLU . . . -72.74 -38.59 56.72 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.498 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -53.06 -45.96 68.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.811 -0.695 . . . . 0.0 110.785 174.215 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.627 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.1 mm -68.88 -45.75 80.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.8 m -58.09 -40.24 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.522 0.201 . . . . 0.0 111.236 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -32.16 72.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 0.0 111.167 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -83.48 -34.43 25.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.344 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -67.11 -45.61 76.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.857 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -25.64 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.153 0.502 . . . . 0.0 109.827 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.543 ' HE2' HG22 ' A' ' 114' ' ' VAL . 58.6 t80 -69.15 -38.22 78.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.36 176.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.482 ' HE2' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -60.41 -26.32 66.6 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.238 174.056 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.61 -23.94 19.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 m -78.98 -20.73 48.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.096 0.474 . . . . 0.0 110.536 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.482 HD12 ' HE2' ' A' ' 58' ' ' LYS . 3.9 mt -58.33 -56.84 31.07 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.335 -177.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.2 Cg_endo -54.01 -33.34 72.55 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.062 1.841 . . . . 0.0 113.061 -177.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.84 -47.4 38.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.035 0.445 . . . . 0.0 110.567 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.72 -30.63 70.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.641 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 11.3 t0 -59.34 -44.74 92.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.302 177.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -36.17 83.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.792 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' OE1' ' HD3' ' A' ' 20' ' ' ARG . 45.5 mm-40 -62.51 -39.8 94.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.498 177.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.691 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -60.57 -41.22 94.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.966 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -36.58 65.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.542 178.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.31 -14.97 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.773 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -86.14 -38.36 12.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.579 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.11 -24.62 65.05 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.301 173.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.75 76.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.547 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 71' ' ' ILE . 7.8 mt -70.89 -43.55 76.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.564 0.697 . . . . 0.0 109.78 174.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -65.45 -18.76 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.918 -179.041 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -59.91 -48.13 82.95 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.732 0.301 . . . . 0.0 110.664 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.513 ' HB2' HD21 ' A' ' 13' ' ' LEU . 61.6 mm-40 -82.03 -26.3 33.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.331 0.586 . . . . 0.0 110.223 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.722 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -87.77 -1.94 58.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.938 -176.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 1.3 tp60 -124.04 -34.07 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.764 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -58.35 -26.86 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.026 0.204 . . . . 0.0 111.282 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 pp -61.52 -44.19 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 0.0 110.262 176.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.73 -20.56 46.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.314 0.578 . . . . 0.0 110.313 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 23.0 mt-10 -81.9 -13.22 57.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.625 177.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -99.66 -44.95 5.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.205 175.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.447 ' HB2' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -126.34 127.01 44.85 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.062 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.54 62.81 1.04 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.001 0.429 . . . . 0.0 110.605 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.447 HG23 ' HB2' ' A' ' 85' ' ' ASN . 2.4 pt -76.87 155.89 5.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.62 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -86.21 82.17 8.14 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.85 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -51.29 161.68 0.41 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.492 175.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.46 96.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.984 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.64 -97.41 0.41 Allowed Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.095 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.7 m -148.77 -51.19 0.16 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 176.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.405 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -134.72 105.08 10.75 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.351 174.094 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 93' ' ' ASN . 18.2 Cg_endo -61.25 -65.46 0.07 OUTLIER 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.472 2.115 . . . . 0.0 111.787 179.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.59 ' CE2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -124.64 -25.37 4.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.636 0.732 . . . . 0.0 109.126 175.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.96 72.65 5.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.582 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 m -76.49 -38.19 55.65 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.845 0.831 . . . . 0.0 108.794 171.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.514 HG21 ' HB1' ' A' ' 21' ' ' ALA . 1.4 p -52.86 108.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.282 171.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.715 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -96.34 157.93 34.72 Favored Pre-proline 0 N--CA 1.447 -0.607 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.098 -174.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.715 ' HD2' HG22 ' A' ' 99' ' ' THR . 6.1 Cg_endo -50.35 -42.08 49.09 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.084 2.523 . . . . 0.0 112.706 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -38.24 83.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 0.0 110.517 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.635 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -61.84 -37.37 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.626 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -34.75 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.852 0.358 . . . . 0.0 111.499 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -73.64 -49.03 28.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.791 0.329 . . . . 0.0 111.446 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.8 m -67.78 -33.23 74.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.064 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.8 OUTLIER -64.0 -48.86 74.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.264 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.442 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 61.2 t-105 -55.22 -44.33 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.403 176.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -43.85 87.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.138 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 4.7 mmtt -75.62 -29.0 59.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.665 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.64 -43.27 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.133 0.492 . . . . 0.0 109.823 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.478 ' NE2' HD13 ' A' ' 61' ' ' LEU . 21.9 mm-40 -60.27 -44.02 95.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.734 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -74.87 -12.57 60.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.519 -175.243 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 1.7 mt -89.54 -16.89 29.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.961 0.41 . . . . 0.0 110.503 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.721 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 89.7 t -60.09 -57.07 29.41 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.069 -177.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.721 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 35.3 Cg_exo -61.9 -36.73 70.73 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.532 2.154 . . . . 0.0 112.772 -176.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -47.45 85.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.976 0.417 . . . . 0.0 110.559 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -69.57 -34.55 74.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.929 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -63.9 -32.48 74.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 110.034 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -76.33 -43.2 42.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.182 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.58 -35.96 82.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.556 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 50' ' ' LEU . 18.5 mt -67.42 -53.77 26.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.195 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.714 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -64.91 -34.26 77.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.774 -175.122 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -52.3 66.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.575 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -74.91 -33.93 62.07 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.127 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.714 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -61.55 -31.81 71.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.339 . . . . 0.0 110.73 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.514 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 3.3 m -87.34 8.18 25.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.02 0.438 . . . . 0.0 111.011 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -109.37 -13.15 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.023 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.776 ' HG3' HG13 ' A' ' 47' ' ' ILE . 70.0 mm-40 -87.61 -43.67 11.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.42 0.629 . . . . 0.0 111.271 -175.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.294 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.434 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 112.36 -0.296 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.91 5.98 15.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.782 0.325 . . . . 0.0 111.07 178.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -41.82 68.37 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -175.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.682 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -70.51 -20.65 62.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.304 -175.759 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -97.2 -25.89 15.13 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -178.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -68.92 -39.51 79.59 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.492 173.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -83.33 -30.8 27.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.199 -178.181 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.682 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -76.25 -27.91 56.91 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.803 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -41.85 85.95 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.687 HD11 HD21 ' A' ' 89' ' ' LEU . 1.6 pp -84.18 -5.49 9.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.227 178.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.2 t70 -85.3 -18.73 33.02 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.793 172.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 65.3 mm-40 -88.1 -29.32 20.7 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -66.16 -38.21 87.51 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 112.957 -1.928 . . . . 0.0 109.395 169.548 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 5.0 m170 -53.79 -32.34 52.2 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.945 177.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.622 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -61.26 -40.31 93.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.568 -179.161 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.73 -30.83 70.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.896 0.379 . . . . 0.0 110.201 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CD1' HG21 ' A' ' 96' ' ' THR . 2.0 t80 -69.9 -47.86 60.86 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 175.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.579 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -64.89 -32.74 74.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.49 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -11.76 56.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.921 0.391 . . . . 0.0 111.015 -174.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.551 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -109.01 -39.94 5.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.355 178.308 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -71.29 -17.16 62.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.099 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.503 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -71.84 -59.69 2.8 Favored Pre-proline 0 C--N 1.33 -0.268 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.85 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.503 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 37.0 Cg_endo -68.39 -23.24 38.25 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.277 1.318 . . . . 0.0 111.555 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.612 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.7 t80 -72.82 -41.47 64.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.524 ' OD1' ' HE2' ' A' ' 106' ' ' LYS . 3.1 t30 -74.08 -20.87 60.14 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.499 0.666 . . . . 0.0 109.934 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.93 -44.48 31.35 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.905 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -59.23 -51.56 69.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.645 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.57 ' HE3' ' O ' ' A' ' 103' ' ' ILE . 2.2 mmt -55.4 -41.88 73.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.458 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.56 -44.85 66.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.091 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.7 m -66.45 -38.33 87.12 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.609 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.81 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.47 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 10.6 ttm -66.18 -29.27 69.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.397 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -68.53 -46.07 70.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.596 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.97 -43.14 95.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.996 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -67.88 -33.66 75.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.153 -178.375 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -81.52 -35.23 30.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.696 -178.051 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.42 139.37 58.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.546 -174.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.23 111.39 20.97 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.395 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -78.65 136.48 37.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.343 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 40' ' ' ILE . 9.0 tp -110.47 133.01 57.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.523 HG12 HD11 ' A' ' 50' ' ' LEU . 33.2 m -125.13 151.31 30.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.102 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -118.95 -41.88 2.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.314 0.578 . . . . 0.0 109.452 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.87 171.45 10.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.996 -175.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.645 ' HA ' HD13 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.78 -26.85 31.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.384 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.544 ' N ' HG13 ' A' ' 44' ' ' ILE . 1.3 mt-10 -52.28 -44.79 65.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.178 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -71.31 -37.27 71.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.593 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.645 HD13 ' HA ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -70.15 -21.09 23.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 109.948 179.241 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.54 9.39 18.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.913 172.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.08 -62.89 0.3 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.504 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD11 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -75.53 -4.42 39.73 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -175.522 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.714 HG12 ' HB3' ' A' ' 121' ' ' LEU . 15.7 mt -88.63 -43.5 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -31.13 71.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 178.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.41 -34.95 76.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.688 175.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -83.27 -25.22 31.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.356 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -67.94 -51.82 43.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -65.21 -23.51 67.1 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.631 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -62.54 -33.56 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.038 175.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.731 ' HE3' HD12 ' A' ' 61' ' ' LEU . 3.2 mmmm -71.6 -17.64 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.629 177.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.46 -31.91 17.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.461 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.13 -25.43 58.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.884 0.373 . . . . 0.0 111.022 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.731 HD12 ' HE3' ' A' ' 58' ' ' LYS . 2.9 mt -57.08 -55.89 39.25 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -176.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.6 Cg_endo -54.28 -33.05 74.14 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.38 2.054 . . . . 0.0 113.582 -176.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -81.59 -45.64 15.56 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.823 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.47 75.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.121 0.486 . . . . 0.0 110.669 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -61.06 -48.41 81.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.82 175.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -43.05 99.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.683 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.53 -36.43 83.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.249 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.612 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -58.75 -39.78 81.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.001 0.429 . . . . 0.0 110.406 178.384 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -73.74 -34.11 64.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.251 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.67 -10.91 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.092 0.472 . . . . 0.0 110.875 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.684 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -88.98 -40.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 176.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.79 -29.91 71.06 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.348 173.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.97 99.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.99 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 71' ' ' ILE . 10.1 mt -63.18 -44.39 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.726 . . . . 0.0 110.208 177.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.52 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -69.57 -16.92 63.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.292 -176.144 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -51.41 70.07 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.26 0.552 . . . . 0.0 109.925 176.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.449 ' HA ' ' HD2' ' A' ' 80' ' ' ARG . 1.1 mp0 -75.04 -33.09 61.71 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.211 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -81.15 -4.55 55.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.809 -177.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.52 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -115.53 -34.29 4.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.523 0.201 . . . . 0.0 111.119 177.574 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.449 ' HD2' ' HA ' ' A' ' 77' ' ' GLU . 11.1 ptm180 -56.0 -30.46 61.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.79 -176.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.579 HD11 HD11 ' A' ' 89' ' ' LEU . 1.9 pp -67.61 -36.06 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.875 0.369 . . . . 0.0 110.631 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.97 -22.3 36.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.122 0.487 . . . . 0.0 110.393 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 51.0 mm-40 -80.62 -20.74 42.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.251 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 m -90.03 -43.79 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.659 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.491 ' HB2' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -119.53 126.0 50.2 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 176.435 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -76.21 64.06 1.97 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.341 0.591 . . . . 0.0 110.284 -176.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.491 HG23 ' HB2' ' A' ' 85' ' ' ASN . 2.3 pt -91.17 -177.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.329 -178.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.64 92.44 3.79 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 175.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.687 HD21 HD11 ' A' ' 10' ' ' ILE . 5.0 mt -55.74 176.67 0.06 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.005 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.92 86.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.527 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.18 -152.7 48.98 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -172.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.14 -29.15 28.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 171.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -178.9 117.07 0.23 Allowed Pre-proline 0 CA--C 1.517 -0.295 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.294 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.82 -31.64 15.48 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.33 2.02 . . . . 0.0 112.667 -172.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.622 ' HE2' HD22 ' A' ' 15' ' ' LEU . 2.6 m-85 -107.55 -39.7 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.011 0.434 . . . . 0.0 110.796 -173.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.579 ' HB ' ' HA ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -126.26 88.21 2.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 0.0 111.08 -175.126 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 61.0 m -60.61 -24.48 65.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.45 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.442 HG13 ' OG1' ' A' ' 96' ' ' THR . 0.6 OUTLIER -55.17 128.46 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.742 177.033 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.616 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -98.53 160.19 28.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.343 179.217 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.616 ' HD2' HG22 ' A' ' 99' ' ' THR . 9.3 Cg_endo -52.94 -41.21 72.72 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.94 2.427 . . . . 0.0 112.415 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -69.85 -36.64 75.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.348 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.18 -43.07 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.3 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.57 ' O ' ' HE3' ' A' ' 28' ' ' MET . 0.3 OUTLIER -79.28 -34.88 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.326 -177.804 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -72.2 -44.11 63.49 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.891 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.5 m -63.81 -33.15 75.03 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.019 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.524 ' HE2' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -64.34 -45.22 88.78 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.864 0.364 . . . . 0.0 110.618 177.04 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -60.28 -41.22 92.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.216 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -40.05 93.52 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.367 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -64.87 -43.39 93.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.289 176.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 114' ' ' VAL . 40.1 t -59.11 -48.8 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.373 177.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -56.18 -49.26 74.51 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.788 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -71.57 -16.03 62.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.687 -174.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.44 -14.62 30.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.824 0.345 . . . . 0.0 110.692 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 110' ' ' VAL . 48.4 t -60.91 -57.46 26.29 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.517 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 28.5 Cg_endo -63.59 -30.11 70.45 Favored 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.179 1.92 . . . . 0.0 112.501 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -53.38 49.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.029 0.442 . . . . 0.0 110.382 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.67 ' HE ' HD11 ' A' ' 121' ' ' LEU . 2.8 tpt180 -69.06 -32.79 72.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.416 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -34.7 77.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.083 0.468 . . . . 0.0 109.844 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -76.33 -44.91 34.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.936 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.21 89.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.714 ' HB3' HG12 ' A' ' 51' ' ' ILE . 22.1 mt -66.08 -51.55 57.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.81 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.17 -43.77 98.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.284 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -39.28 88.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 110.893 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -47.06 61.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.075 -178.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.557 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -67.97 -22.22 65.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.637 178.653 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.5 m -78.48 -25.18 45.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.964 0.412 . . . . 0.0 110.171 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -19.24 61.35 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 109.899 173.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -104.8 -147.84 0.4 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.003 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.197 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -45.84 9.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.801 0.301 . . . . 0.0 111.593 -176.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -57.02 -56.26 24.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -172.022 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.583 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 21.9 mp0 -61.84 -27.3 68.68 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -176.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -87.46 -29.64 21.26 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -63.69 -44.12 94.62 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.915 172.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 4' ' ' GLU . 2.8 pp -79.55 -29.0 41.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.716 -177.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.583 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 2.6 tt0 -70.36 -33.6 71.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.858 0.361 . . . . 0.0 110.513 178.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.23 -42.81 54.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.192 0.52 . . . . 0.0 110.258 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.524 ' HA ' HD21 ' A' ' 13' ' ' LEU . 1.1 pt -77.6 -13.17 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.168 -178.203 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.4 t0 -71.14 -20.81 62.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 173.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -75.06 -34.73 61.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.373 177.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.676 HD12 ' HB2' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -85.05 -16.55 40.31 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 175.374 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 3.6 m170 -57.03 -31.75 65.46 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 171.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.594 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -63.13 -39.42 94.63 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.992 178.467 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -36.68 85.09 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.296 0.569 . . . . 0.0 110.131 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD1' HG21 ' A' ' 96' ' ' THR . 2.4 t80 -64.18 -48.37 76.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.768 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.654 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -65.7 -30.32 70.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.325 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.527 ' HE2' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -79.02 -23.15 44.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.349 -176.71 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.634 ' HB3' HD11 ' A' ' 71' ' ' ILE . 8.7 mtt180 -104.29 -34.75 8.22 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.571 -177.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -67.1 -23.7 65.86 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.55 -60.14 6.03 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.681 -176.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 39.2 Cg_endo -67.79 -27.43 37.64 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.761 1.641 . . . . 0.0 111.718 179.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.407 ' HE1' ' HB1' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -69.1 -39.53 78.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.514 179.401 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 1.5 t-20 -71.19 -27.25 63.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.844 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -68.27 -43.47 77.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.393 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -68.36 -51.3 45.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.371 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.519 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 3.6 mtt -54.49 -46.06 73.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.844 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -48.36 70.81 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.839 -178.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 m -65.87 -39.14 90.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.062 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.37 18.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.093 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.49 ' HE2' HG23 ' A' ' 110' ' ' VAL . 34.9 ttm -56.05 -45.12 79.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.267 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 7.0 mm-40 -73.42 -29.17 62.4 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -176.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.73 -34.87 60.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.071 0.462 . . . . 0.0 109.956 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mp -67.78 -34.77 77.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.986 -173.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.427 ' H ' ' HG2' ' A' ' 36' ' ' GLN . 3.9 pt20 -90.91 -18.81 24.12 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 33' ' ' GLU . 6.6 t0 -67.46 159.02 30.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.208 0.528 . . . . 0.0 111.721 -173.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -80.87 101.66 9.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.323 -177.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -78.23 138.24 38.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.852 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.0 tp -115.85 130.0 71.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.447 0.642 . . . . 0.0 110.569 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.08 155.98 38.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.742 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -102.89 -61.58 1.38 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.988 0.423 . . . . 0.0 110.322 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.87 171.74 7.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.482 -175.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.468 HD12 HE21 ' A' ' 129' ' ' GLN . 0.0 OUTLIER -64.1 -31.5 53.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-O 121.123 0.487 . . . . 0.0 110.736 177.216 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.13 -40.06 67.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.071 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.41 -40.46 77.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.165 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.763 HD11 ' HG3' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -62.14 -33.74 60.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.238 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -16.79 64.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.947 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.11 -44.71 1.24 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.572 176.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -50.01 75.5 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 123.806 0.842 . . . . 0.0 111.396 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.614 HG12 ' HB3' ' A' ' 121' ' ' LEU . 31.0 mt -65.54 -36.04 76.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.975 0.417 . . . . 0.0 110.434 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -64.47 -21.8 66.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.248 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.72 65.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.071 0.462 . . . . 0.0 110.251 175.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.438 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 14.1 t60 -91.93 -28.94 16.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.593 174.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.51 -54.62 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.551 175.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.97 -21.11 64.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.121 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.438 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 26.2 t80 -66.42 -33.85 76.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.227 175.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.712 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -69.03 -17.64 63.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.664 175.831 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.54 -27.67 17.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.608 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.88 -19.32 52.2 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 111.218 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.712 HD12 ' HE3' ' A' ' 58' ' ' LYS . 3.0 mt -57.94 -54.9 50.69 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -177.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 14.8 Cg_endo -57.22 -30.07 85.98 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.084 1.856 . . . . 0.0 112.772 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -73.92 -50.1 21.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.243 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.407 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -68.18 -33.32 74.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.114 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.74 -41.62 95.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.107 0.48 . . . . 0.0 110.08 177.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -43.75 91.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.618 178.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.63 -41.21 85.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.244 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.497 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -63.0 -34.96 78.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.583 0.23 . . . . 0.0 110.918 -178.164 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.74 -32.3 31.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.735 0.302 . . . . 0.0 110.505 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.67 -21.75 61.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.414 0.626 . . . . 0.0 110.53 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.634 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -82.83 -38.57 14.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.744 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mt -65.44 -32.36 73.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.675 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -64.14 -45.86 86.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.689 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.05 -40.08 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.295 0.569 . . . . 0.0 110.525 176.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.491 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -75.66 -13.64 60.33 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -178.749 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -64.16 -44.7 91.31 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -35.03 44.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.444 0.64 . . . . 0.0 109.844 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.676 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -80.93 -0.12 37.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.775 -175.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.642 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -122.25 -35.6 3.1 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 176.854 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -27.15 65.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.835 0.35 . . . . 0.0 111.42 -175.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pp -71.88 -31.07 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.292 0.568 . . . . 0.0 110.394 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.45 -16.06 35.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.842 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 10.5 mm-40 -81.64 -21.71 38.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.336 178.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -100.94 -26.35 13.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.654 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -125.33 136.02 53.05 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -77.95 68.82 4.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.315 0.578 . . . . 0.0 109.473 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.676 HG22 HG22 ' A' ' 3' ' ' THR . 3.0 pt -73.87 170.64 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.007 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.69 81.26 1.41 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.213 -176.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.507 ' HG ' HD11 ' A' ' 87' ' ' ILE . 8.3 mt -67.14 -25.85 66.38 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.407 176.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.2 m 59.78 46.88 10.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.955 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.85 -158.67 25.76 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.816 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -38.43 16.55 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.335 0.588 . . . . 0.0 109.808 177.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.453 ' OD1' ' HD2' ' A' ' 94' ' ' PRO . 0.9 OUTLIER -174.38 141.59 0.78 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.807 -179.641 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.453 ' HD2' ' OD1' ' A' ' 93' ' ' ASN . 54.9 Cg_endo -72.05 -37.31 4.92 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.204 1.936 . . . . 0.0 113.012 -178.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.594 ' CD2' HD13 ' A' ' 15' ' ' LEU . 3.9 m-85 -106.31 -40.98 5.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.374 -175.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.654 ' HB ' ' HA ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -120.39 88.52 2.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.049 0.452 . . . . 0.0 110.803 -174.087 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.4 m -54.61 -33.94 61.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.306 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -51.61 125.55 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.87 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.674 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -99.03 159.26 30.66 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.557 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.674 ' HD2' HG22 ' A' ' 99' ' ' THR . 11.5 Cg_endo -54.94 -42.66 66.86 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.219 2.613 . . . . 0.0 112.445 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -68.08 -36.64 80.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.991 0.425 . . . . 0.0 110.175 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -63.09 -38.08 81.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.474 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.465 ' O ' ' HE1' ' A' ' 28' ' ' MET . 0.3 OUTLIER -83.28 -34.9 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.212 -179.674 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.497 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 1.3 t-20 -70.49 -51.49 28.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.594 0.235 . . . . 0.0 111.27 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.9 m -67.33 -23.96 65.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 111.132 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.519 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 2.4 mttt -70.83 -42.19 70.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 0.0 110.027 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -58.39 -41.95 86.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.972 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.4 -41.03 93.0 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.428 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.455 ' O ' HD12 ' A' ' 113' ' ' LEU . 19.7 mttm -66.22 -28.54 68.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.769 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 114' ' ' VAL . 2.2 t -72.48 -45.16 60.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.135 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.433 ' NE2' HD13 ' A' ' 61' ' ' LEU . 32.0 mm-40 -62.37 -43.71 98.17 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.131 -176.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -22.63 67.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.579 -176.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.5 mt -89.48 -12.89 38.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 110' ' ' VAL . 99.5 t -65.86 -56.54 17.17 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 119.05 -0.5 . . . . 0.0 112.191 -175.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.91 -32.38 55.0 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.016 1.811 . . . . 0.0 112.258 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.2 -46.62 76.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.192 0.52 . . . . 0.0 110.051 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 117' ' ' ARG . 4.8 tpt180 -65.71 -37.67 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.415 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -36.98 66.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 175.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -78.95 -39.9 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.87 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.2 86.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.087 0.47 . . . . 0.0 110.57 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.614 ' HB3' HG12 ' A' ' 51' ' ' ILE . 12.8 mt -66.61 -46.42 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.709 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.797 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -64.32 -38.36 90.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.403 -179.122 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -42.82 86.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.036 0.446 . . . . 0.0 110.67 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.763 ' HG3' HD11 ' A' ' 47' ' ' ILE . 7.2 tp10 -71.07 -47.0 60.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.588 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.797 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.0 pt20 -67.02 -20.78 65.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.475 -176.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.1 m -80.73 -12.36 59.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.995 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -93.77 -8.98 39.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.316 0.579 . . . . 0.0 109.819 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -84.89 -132.02 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.464 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.468 HE21 HD12 ' A' ' 44' ' ' ILE . 4.8 pt20 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.244 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.841 -0.504 . . . . 0.0 111.841 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -123.06 30.55 6.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.035 0.445 . . . . 0.0 110.468 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.719 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER 65.9 6.52 4.06 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.505 176.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.51 ' HB2' ' HE3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -58.46 -32.9 69.17 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.839 0.352 . . . . 0.0 111.936 -172.153 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.51 ' HE3' ' HB2' ' A' ' 4' ' ' GLU . 2.3 mmtp -83.6 -27.28 29.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.104 0.478 . . . . 0.0 109.779 -175.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.572 ' HB2' HG22 ' A' ' 3' ' ' THR . 46.7 mt-30 -79.53 -24.78 41.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.701 176.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.719 ' HG ' ' O ' ' A' ' 3' ' ' THR . 16.6 mt -78.7 -50.44 11.4 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.446 0.641 . . . . 0.0 109.884 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.06 -40.09 82.87 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.674 -171.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.44 78.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.239 0.542 . . . . 0.0 110.53 -175.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.618 HD13 HD11 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -93.62 -7.88 10.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.691 -177.797 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 2.9 t0 -80.54 -27.38 37.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -67.37 -34.54 77.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.101 171.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 77' ' ' GLU . 37.3 mt -69.34 -33.76 73.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.493 173.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 39.7 m170 -61.54 -39.07 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 174.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.682 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.84 -44.88 96.37 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.175 176.15 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.24 -32.85 74.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.593 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -70.63 -45.82 64.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.88 -23.95 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.615 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -22.13 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.486 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' HB3' HD11 ' A' ' 71' ' ' ILE . 4.4 mtm180 -105.43 -33.67 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.627 -176.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -74.79 -18.28 60.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.641 0.258 . . . . 0.0 110.33 177.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.85 -56.55 11.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.465 -177.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.458 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 36.6 Cg_endo -68.52 -28.42 32.02 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 121.515 1.477 . . . . 0.0 111.904 177.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CE1' ' HB1' ' A' ' 64' ' ' ALA . 2.4 t80 -66.72 -43.51 84.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.849 0.357 . . . . 0.0 110.103 177.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.3 t-20 -68.75 -30.21 68.78 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.31 0.576 . . . . 0.0 109.903 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 23' ' ' PRO . 3.9 m-80 -70.1 -38.07 75.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.474 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -66.71 -48.02 70.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.539 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 53.2 mtm -60.16 -41.99 93.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.198 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 4.7 mm-40 -70.98 -18.24 62.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.293 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 m -93.55 -41.91 9.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.016 0.436 . . . . 0.0 110.135 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.37 -56.09 5.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.765 -176.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.4 ttm -62.68 -35.19 78.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.652 -177.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -71.04 -39.81 72.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.453 -178.524 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -73.03 -37.34 66.95 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.66 -31.37 71.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -40.57 30.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.453 176.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.4 133.75 56.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.357 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.78 110.06 15.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 110.613 -177.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -69.04 129.76 40.83 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.16 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 tp -107.17 131.64 56.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.605 HG12 ' HG3' ' A' ' 46' ' ' GLU . 3.0 m -126.56 98.09 4.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.516 0.674 . . . . 0.0 110.243 -177.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -75.58 -22.62 56.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.28 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -134.29 155.05 50.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.738 -177.885 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -75.07 -21.66 16.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.084 0.469 . . . . 0.0 110.738 -177.379 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -59.49 -37.1 77.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.924 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.605 ' HG3' HG12 ' A' ' 41' ' ' VAL . 1.1 pt-20 -85.58 -10.35 56.02 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.466 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.755 ' O ' HG12 ' A' ' 51' ' ' ILE . 28.6 mt -69.96 -46.99 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -61.94 -30.74 71.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.199 0.523 . . . . 0.0 110.344 -178.463 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.32 -43.22 21.03 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.503 HD23 ' CG1' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -55.66 -44.37 77.18 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.543 0.337 . . . . 0.0 111.315 176.634 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.755 HG12 ' O ' ' A' ' 47' ' ' ILE . 9.0 mm -63.93 -47.03 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.729 0.3 . . . . 0.0 110.339 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -62.7 -30.42 71.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.03 71.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.047 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -88.13 -25.66 22.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 110.121 177.215 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.37 -53.52 42.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.278 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -67.28 -24.18 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.192 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.42 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 46.0 t80 -65.84 -37.96 87.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.825 178.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HD2' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.51 -11.37 60.77 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.701 176.318 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.99 -28.85 14.45 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.706 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -25.64 50.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.868 0.366 . . . . 0.0 110.795 173.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.6 mt -54.55 -57.31 19.4 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.63 -177.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 13.7 Cg_endo -57.01 -33.37 95.53 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.927 1.751 . . . . 0.0 112.415 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -69.84 -49.98 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.063 0.459 . . . . 0.0 110.462 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -71.23 -30.34 66.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.906 -179.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.21 -46.36 88.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.083 0.468 . . . . 0.0 110.623 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -69.42 -29.9 67.72 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.359 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.22 -38.16 87.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.569 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -32.58 72.38 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.251 0.548 . . . . 0.0 110.413 177.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -43.58 28.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.249 177.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.92 -21.24 64.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.89 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.64 -37.24 14.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.527 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 100' ' ' PRO . 1.5 mt -71.09 -20.91 62.29 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.424 174.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.67 -41.66 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.217 175.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 71' ' ' ILE . 31.3 mt -65.39 -45.24 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.14 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -20.6 64.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.567 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -78.37 -31.71 48.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.078 0.466 . . . . 0.0 110.173 -179.401 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.88 -7.92 57.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.928 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.549 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -111.37 -37.72 5.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.41 174.415 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -48.52 -45.08 36.74 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 121.459 0.647 . . . . 0.0 111.911 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.618 HD11 HD13 ' A' ' 10' ' ' ILE . 1.4 pp -51.25 -47.21 33.65 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.963 176.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.17 -22.45 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 111.067 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 10.2 mm-40 -76.96 -29.28 55.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.987 176.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.3 m -83.6 -50.54 8.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.759 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.77 131.67 52.45 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -71.31 73.59 0.7 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.32 0.581 . . . . 0.0 110.523 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.481 HD11 ' HG ' ' A' ' 89' ' ' LEU . 1.1 pt -79.05 -172.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.819 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.25 86.01 2.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.086 0.47 . . . . 0.0 110.281 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.481 ' HG ' HD11 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -63.99 165.3 9.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.718 177.582 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.503 ' HB2' ' HB3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -73.99 71.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.143 0.497 . . . . 0.0 110.319 175.549 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.68 -135.62 18.46 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -174.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.53 -34.62 11.4 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -172.25 117.59 0.41 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.412 176.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.503 ' HB3' ' HB2' ' A' ' 90' ' ' SER . 87.9 Cg_endo -79.37 -26.81 4.71 Favored 'Trans proline' 0 C--N 1.334 -0.229 0 C-N-CA 123.339 2.692 . . . . 0.0 112.857 -171.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.682 ' HE2' HD22 ' A' ' 15' ' ' LEU . 9.1 m-85 -102.92 -50.26 3.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.846 -173.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.522 HG23 HG13 ' A' ' 98' ' ' VAL . 1.1 m -128.79 96.38 4.36 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.1 m -80.71 68.28 6.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.545 0.688 . . . . 0.0 111.656 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.522 HG13 HG23 ' A' ' 96' ' ' THR . 1.4 m -125.98 152.58 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.898 174.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.524 ' HB ' ' HD2' ' A' ' 100' ' ' PRO . 23.0 p -110.06 167.52 8.97 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.607 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.532 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 17.1 Cg_endo -59.04 -24.69 74.68 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.505 2.137 . . . . 0.0 111.132 173.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -75.09 -49.01 21.04 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.714 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.419 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 4.4 mt -54.77 -49.31 69.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.01 -38.36 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.944 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.3 t-20 -83.36 -46.38 12.64 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.3 m -65.99 -35.49 80.73 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.302 -0.159 . . . . 0.0 111.096 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 9.8 mtpp -65.66 -39.75 91.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.539 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.8 t-105 -61.33 -44.22 97.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.472 175.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -42.64 98.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.548 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -64.73 -38.1 89.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.635 178.277 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 114' ' ' VAL . 3.2 t -58.83 -49.12 84.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.982 176.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 79.4 mm-40 -60.92 -45.51 94.35 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.007 -176.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.8 pt20 -69.45 -22.58 63.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -175.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -8.45 56.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.186 0.517 . . . . 0.0 110.774 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 110' ' ' VAL . 55.0 t -67.32 -56.7 12.2 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.726 -178.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 119' ' ' HIS . 35.4 Cg_endo -65.52 -29.34 52.96 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.924 1.749 . . . . 0.0 111.722 177.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -63.21 -48.86 76.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.203 0.525 . . . . 0.0 109.999 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -66.5 -42.69 87.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.618 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' HD12 ' A' ' 121' ' ' LEU . 19.2 t70 -61.12 -29.27 69.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.201 0.524 . . . . 0.0 110.641 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 115' ' ' PRO . 1.5 t-160 -76.87 -46.13 25.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.795 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.83 76.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.811 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.504 HD22 HD13 ' A' ' 51' ' ' ILE . 19.1 mt -61.04 -51.93 67.09 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.737 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.544 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.4 OUTLIER -67.03 -39.32 86.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.576 178.346 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -63.48 -39.32 94.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.761 179.276 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -51.83 54.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.954 178.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.544 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.4 pt20 -64.01 -23.82 67.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.49 -12.78 60.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 111.16 178.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 123' ' ' GLU . 17.8 mttm -92.38 -12.83 31.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.182 0.515 . . . . 0.0 109.873 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -102.65 -128.89 0.23 Allowed 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.788 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.135 -0.936 . . . . 0.0 109.828 -178.617 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.359 -0.296 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.73 48.57 1.61 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.05 0.452 . . . . 0.0 110.567 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.04 90.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.427 -176.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -69.18 -18.45 63.92 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.329 -175.213 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -91.1 -30.98 16.42 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -177.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -67.05 -39.28 86.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.869 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 10' ' ' ILE . 1.7 pp -84.56 -26.9 27.68 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.142 -178.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.587 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -73.72 -35.97 65.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.699 0.285 . . . . 0.0 110.4 178.773 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.46 82.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.104 0.478 . . . . 0.0 110.184 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.669 HG21 HG21 ' A' ' 81' ' ' ILE . 1.3 pp -81.81 -16.32 12.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.695 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.4 t70 -79.82 -26.5 40.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 21.3 mm-40 -74.5 -11.25 60.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.733 176.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -107.91 -5.05 17.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.148 0.499 . . . . 0.0 109.843 169.824 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.532 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -60.97 -36.39 79.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.218 174.213 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.887 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -80.25 -19.62 46.4 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.87 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.1 tp10 -64.82 -42.74 94.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.843 175.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -60.45 -44.82 95.46 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 173.311 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.537 ' HB2' HG23 ' A' ' 96' ' ' THR . . . -70.52 -18.97 62.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.643 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -33.68 40.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.811 0.338 . . . . 0.0 110.608 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HD2' ' OE2' ' A' ' 16' ' ' GLU . 3.8 mtp180 -89.26 -32.29 17.46 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.678 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -68.88 -20.11 64.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.494 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.11 -59.51 8.6 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.428 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 41.3 Cg_endo -68.61 -25.2 34.73 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 121.685 1.59 . . . . 0.0 111.977 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.59 -40.58 69.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 110.324 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.9 t-20 -72.3 -27.96 62.79 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.39 0.614 . . . . 0.0 109.725 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -67.92 -42.1 81.57 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.19 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -68.35 -52.1 36.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.254 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.559 ' HE1' HG13 ' A' ' 103' ' ' ILE . 21.3 mtm -56.25 -44.8 80.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.348 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -65.95 -44.37 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.955 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -70.96 -39.27 72.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.73 0.3 . . . . 0.0 110.722 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.05 -45.82 66.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.942 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.493 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 12.7 ttm -62.2 -34.82 77.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.448 . . . . 0.0 110.334 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -72.23 -46.29 56.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.379 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -66.26 -38.86 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.01 0.433 . . . . 0.0 110.064 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 4.4 mp -72.21 -18.3 61.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.881 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -92.36 -38.94 11.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.427 -179.408 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -83.6 162.8 20.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.12 -175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.72 118.65 24.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.072 -176.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -70.23 144.88 51.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.791 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 40' ' ' ILE . 10.6 tp -109.81 131.34 61.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.403 0.62 . . . . 0.0 110.577 177.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.466 HG12 HD23 ' A' ' 50' ' ' LEU . 25.6 m -127.36 160.98 35.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.655 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -122.42 -40.77 2.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.092 0.472 . . . . 0.0 109.929 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -125.52 165.9 17.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.174 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -65.22 -26.26 39.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 121.063 0.458 . . . . 0.0 110.243 177.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' N ' HG13 ' A' ' 44' ' ' ILE . 12.5 mt-10 -62.83 -44.23 96.7 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.998 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -72.04 -32.85 67.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.773 0.32 . . . . 0.0 110.311 176.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.576 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -63.6 -35.9 74.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.951 178.676 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.89 -35.21 62.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.895 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.9 -32.44 73.62 Favored Glycine 0 CA--C 1.51 -0.262 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -59.06 -42.88 91.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.027 -0.587 . . . . 0.0 109.994 172.138 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.0 mm -66.29 -41.8 89.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.556 176.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 m -58.01 -40.38 80.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.874 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.475 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . . . -65.04 -25.64 67.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.914 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -85.09 -29.07 25.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.619 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.11 -49.75 59.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' HA ' ' A' ' 53' ' ' ALA . 2.7 pt20 -65.85 -22.93 66.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.209 0.528 . . . . 0.0 110.186 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 29.4 t80 -65.99 -38.05 87.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.495 174.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -74.1 -10.28 59.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 176.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m -89.92 -35.8 15.38 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.307 0.575 . . . . 0.0 109.714 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.9 m -78.65 -22.87 46.23 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.793 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -59.03 11.29 Favored Pre-proline 0 C--O 1.22 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.031 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.98 -29.29 75.54 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.051 1.834 . . . . 0.0 112.258 -178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -49.78 39.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.284 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.72 -26.31 61.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.472 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -60.25 -47.5 85.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.909 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -64.23 -37.59 88.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.116 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -62.21 -31.5 72.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.605 -179.068 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.486 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -61.48 -34.42 75.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.86 0.362 . . . . 0.0 110.736 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -24.57 18.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.38 178.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' A' ' 67' ' ' GLU . . . -69.87 -8.15 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 110.504 175.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.26 -39.83 11.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.162 -0.926 . . . . 0.0 108.782 176.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.59 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -71.19 -22.65 62.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.018 173.627 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.75 -41.57 64.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.26 -39.54 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.703 0.764 . . . . 0.0 109.86 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.553 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 11.7 t-160 -58.1 -37.62 74.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.456 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 72' ' ' LEU . 1.1 mmmp? -55.03 -43.08 73.4 Favored 'General case' 0 C--N 1.311 -1.106 0 O-C-N 123.776 0.673 . . . . 0.0 110.794 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -36.33 73.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 110.428 -177.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.3 -12.68 42.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.564 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -94.99 -36.58 11.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.008 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -65.57 -24.94 67.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.669 HG21 HG21 ' A' ' 10' ' ' ILE . 2.3 pp -71.97 -31.76 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.824 0.345 . . . . 0.0 110.651 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.23 -16.78 48.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.38 0.61 . . . . 0.0 110.209 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -85.06 -39.9 17.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.378 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -84.45 -28.64 26.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.484 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.447 ' HB2' HG23 ' A' ' 87' ' ' ILE . 4.9 m-80 -122.9 139.02 54.49 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -86.04 60.01 5.98 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.532 0.682 . . . . 0.0 109.75 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.447 HG23 ' HB2' ' A' ' 85' ' ' ASN . 1.3 pt -73.13 -170.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.834 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.66 91.57 3.01 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 176.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 89' ' ' LEU . 4.3 mt -58.03 92.33 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.787 175.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -50.96 67.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.263 0.554 . . . . 0.0 110.036 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.446 ' O ' ' HD3' ' A' ' 94' ' ' PRO . . . -116.54 98.46 0.81 Allowed Glycine 0 N--CA 1.441 -1.013 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.73 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -31.16 68.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.293 0.568 . . . . 0.0 109.481 176.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -130.44 73.68 81.0 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.136 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' A' ' 91' ' ' GLY . 53.4 Cg_endo -73.24 -34.56 5.96 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.783 1.655 . . . . 0.0 110.582 173.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -133.7 -35.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.008 -0.997 . . . . 0.0 108.42 176.782 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.537 HG23 ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -83.5 71.78 10.3 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.416 -178.267 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.92 42.92 0.66 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 122.541 1.162 . . . . 0.0 110.618 175.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.573 HG21 HD12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -137.95 106.78 4.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 CA-C-N 113.891 -1.504 . . . . 0.0 109.774 -178.168 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.593 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -80.49 154.05 73.85 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.593 ' HD2' HG22 ' A' ' 99' ' ' THR . 9.5 Cg_endo -53.35 -39.6 80.87 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.888 2.392 . . . . 0.0 112.208 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -70.03 -34.21 72.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.246 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.89 -44.18 96.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.346 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.573 HD12 HG21 ' A' ' 98' ' ' VAL . 1.9 tt -76.81 -36.58 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 111.432 -177.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.486 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 0.6 OUTLIER -75.47 -45.91 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.732 0.301 . . . . 0.0 111.136 -176.798 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 39.9 m -69.82 -23.91 63.38 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.161 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -74.97 -38.34 61.69 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -59.81 -42.67 93.97 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 171.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -34.31 76.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.72 178.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -66.82 -38.76 87.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.97 0.414 . . . . 0.0 110.143 175.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 114' ' ' VAL . 54.6 t -61.88 -45.25 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.162 175.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -20.72 66.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.154 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -27.86 27.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 3.2 mt -92.34 -17.57 24.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.657 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 16.0 t -56.46 -54.17 56.21 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.228 176.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.657 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 23.7 Cg_exo -65.83 -25.31 53.17 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.494 2.13 . . . . 0.0 112.169 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -54.02 35.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 109.656 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -31.52 70.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.535 177.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.512 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 0.2 OUTLIER -61.9 -33.96 75.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.272 0.558 . . . . 0.0 109.794 178.563 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -87.59 -39.82 14.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.444 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.38 -35.57 77.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.507 177.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 50' ' ' LEU . 21.4 mt -71.15 -51.23 26.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.733 177.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -57.18 -45.26 83.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.749 -179.599 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -31.51 72.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.812 0.339 . . . . 0.0 111.076 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 127' ' ' LYS . 15.9 tp10 -83.8 -48.18 10.35 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.057 -178.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.413 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.7 OUTLIER -63.29 -24.64 67.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.706 -175.809 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.6 m -87.13 -2.71 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.318 . . . . 0.0 111.439 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 124' ' ' GLU . 0.5 OUTLIER -105.18 -5.13 20.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.216 0.531 . . . . 0.0 110.176 176.215 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.461 ' HB3' HG22 ' A' ' 44' ' ' ILE . 2.6 mt-30 -100.71 -47.82 4.71 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.658 0.742 . . . . 0.0 110.447 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.305 -1.353 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.054 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.918 0.39 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 -25.77 62.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.043 0.449 . . . . 0.0 111.051 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.719 HG21 HG12 ' A' ' 81' ' ' ILE . 1.1 pt -101.75 -6.02 9.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.203 0.525 . . . . 0.0 110.942 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -77.43 -31.02 53.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.362 0.601 . . . . 0.0 109.687 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 62.4 mm-40 -68.47 -20.64 64.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.82 172.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.89 HD13 ' HB3' ' A' ' 77' ' ' GLU . 26.8 mt -82.6 -36.42 26.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -59.42 -31.14 69.0 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 171.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.64 HD23 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -60.12 -47.77 84.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.983 178.341 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.78 -28.75 62.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.501 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 2.6 t80 -67.12 -47.54 70.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -29.14 69.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -32.61 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.473 -177.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -98.95 -31.24 11.92 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.55 -177.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.2 -20.67 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.655 0.264 . . . . 0.0 110.575 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.455 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.41 -58.42 10.37 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.81 -176.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.455 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 39.9 Cg_endo -68.16 -31.03 30.42 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.443 1.428 . . . . 0.0 111.567 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.466 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.2 t80 -66.67 -40.48 88.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.702 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -69.67 -28.13 65.61 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.411 0.624 . . . . 0.0 110.075 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.9 -40.24 48.1 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.307 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -64.63 -51.19 63.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.239 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.526 ' O ' ' HB2' ' A' ' 32' ' ' MET . 25.6 mtm -58.29 -39.93 80.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.788 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.26 -51.7 49.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.057 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -60.84 -41.13 95.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.147 0.499 . . . . 0.0 110.64 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.34 75.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.833 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.526 ' HB2' ' O ' ' A' ' 28' ' ' MET . 7.1 ttm -62.91 -35.82 81.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.444 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.96 -47.96 78.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.422 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -72.28 -34.65 68.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.357 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.17 -30.89 63.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.811 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -70.1 -44.5 68.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.53 178.549 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -70.22 135.32 48.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.906 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 6.6 tpt -74.16 120.82 20.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.909 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -72.89 138.91 46.51 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.693 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.4 tp -117.28 131.84 68.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.953 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.921 HG21 HG12 ' A' ' 47' ' ' ILE . 4.4 m -125.34 152.99 32.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.376 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -107.7 -65.52 1.1 Allowed 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.698 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -98.04 168.1 10.49 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.214 -174.282 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -37.75 80.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.137 -176.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.698 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 1.4 mp0 -54.79 -33.1 61.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.703 177.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -79.46 -30.86 42.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.922 0.391 . . . . 0.0 110.553 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.921 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -70.05 -34.16 58.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.187 -179.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 1.5 pt-20 -81.45 -35.66 30.31 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.36 -34.78 90.3 Favored Glycine 0 C--N 1.328 0.125 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.748 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.98 -37.8 86.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.347 0.594 . . . . 0.0 110.189 175.339 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 47' ' ' ILE . 12.9 mt -69.16 -37.48 76.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.839 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 m -59.56 -30.97 69.01 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.953 0.406 . . . . 0.0 110.919 174.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.82 -22.81 65.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.24 0.543 . . . . 0.0 110.607 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.81 -26.83 19.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.799 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.91 -56.24 23.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.673 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -67.27 -18.64 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.717 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -74.7 -40.15 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.37 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.64 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.63 -14.92 63.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.653 178.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.83 -30.86 12.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.907 0.384 . . . . 0.0 110.649 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -27.82 32.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.64 HD12 ' HE3' ' A' ' 58' ' ' LYS . 2.2 mt -54.53 -57.62 17.94 Favored Pre-proline 0 C--O 1.222 -0.388 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.004 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 18.8 Cg_endo -58.78 -27.92 85.28 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.861 1.707 . . . . 0.0 112.48 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -78.04 -48.67 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.427 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 67' ' ' GLU . . . -69.94 -24.31 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.366 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.85 -47.81 81.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.101 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -68.44 -29.21 67.81 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.122 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HG3' HD12 ' A' ' 71' ' ' ILE . 3.4 tp10 -60.81 -43.44 98.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.558 176.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -62.05 -37.18 84.0 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.985 0.421 . . . . 0.0 110.524 178.601 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -72.53 -35.04 67.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.464 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.32 -17.35 61.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.156 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.424 HD12 ' HG3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -83.3 -37.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.4 mt -70.12 -26.78 64.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.242 172.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.454 ' O ' ' HE3' ' A' ' 76' ' ' LYS . . . -67.44 -19.29 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.892 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.8 mt -88.9 -38.09 10.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.701 0.762 . . . . 0.0 109.626 173.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.457 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -70.22 -24.56 63.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.795 -176.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HE3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -63.93 -34.43 77.95 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.894 0.378 . . . . 0.0 110.754 -178.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.89 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -77.62 -34.85 53.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.013 0.435 . . . . 0.0 110.543 179.069 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.488 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -87.43 -14.67 39.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.101 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -99.71 -31.25 11.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.166 -0.334 . . . . 0.0 111.698 -178.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -63.18 -26.07 68.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.938 -172.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.719 HG12 HG21 ' A' ' 10' ' ' ILE . 2.4 pp -70.85 -33.01 50.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 0.0 110.36 176.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.5 -23.36 46.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.275 0.56 . . . . 0.0 110.594 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 18.3 mm-40 . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.191 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.64 ' CE2' HD23 ' A' ' 15' ' ' LEU . 18.6 m-85 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.697 0.284 . . . . 0.0 111.592 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.0 t -128.1 114.55 17.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.195 0.521 . . . . 0.0 110.532 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.87 68.76 6.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.5 0.667 . . . . 0.0 112.084 -174.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.06 126.58 56.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.193 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.64 153.04 43.91 Favored Pre-proline 0 C--N 1.316 -0.848 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.69 -40.93 38.6 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.509 2.139 . . . . 0.0 112.283 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -68.09 -41.44 81.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.275 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.1 mp -59.58 -39.01 78.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -80.18 -32.93 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.708 0.29 . . . . 0.0 111.198 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.474 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 1.6 t-20 -75.22 -48.95 21.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.931 0.396 . . . . 0.0 111.021 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.3 m -67.52 -29.16 68.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.253 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 4.7 mttt -66.51 -40.53 89.26 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -61.66 -42.5 98.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.092 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.98 -32.47 73.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.773 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 2.8 mttt -68.22 -42.35 79.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.0 110.134 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 114' ' ' VAL . 49.0 t -59.86 -47.36 91.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.473 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -63.21 -40.89 98.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.723 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 2.6 pt20 -69.0 -24.16 64.18 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.563 -177.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mt -86.21 -14.13 44.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 111.008 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.709 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 72.9 t -59.95 -57.26 28.1 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.858 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.709 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 25.1 Cg_exo -63.43 -39.91 34.18 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.547 2.165 . . . . 0.0 112.289 -177.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -53.52 -48.06 69.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.165 0.507 . . . . 0.0 110.738 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 117' ' ' ARG . 0.8 OUTLIER -76.18 -37.09 58.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.809 -179.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.81 -29.76 70.74 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.292 0.567 . . . . 0.0 110.4 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -80.23 -47.37 14.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.577 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.48 87.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.893 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.481 ' HB3' HG12 ' A' ' 51' ' ' ILE . 18.6 mt -62.33 -52.32 64.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.774 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.0 OUTLIER -68.41 -33.56 74.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.639 -177.458 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.42 -44.15 79.48 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.334 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -43.13 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.774 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -66.87 -26.8 67.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.003 -178.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.3 m -84.57 -8.89 58.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.968 0.413 . . . . 0.0 111.296 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.29 6.37 37.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.119 0.485 . . . . 0.0 110.107 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.43 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 25.1 mm-40 -83.37 -128.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.728 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.43 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 1.4 pt20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.383 -0.817 . . . . 0.0 110.046 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.92 0.39 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.22 -39.77 65.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.307 0.575 . . . . 0.0 109.956 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.413 HG21 HG21 ' A' ' 81' ' ' ILE . 1.1 pt -84.34 -5.33 9.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.497 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.5 t0 -71.94 -24.35 61.61 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.523 ' HA ' HD23 ' A' ' 15' ' ' LEU . 47.0 mm-40 -73.22 -28.34 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.386 174.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -72.64 -34.36 67.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 170.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 33.5 m170 -62.19 -29.93 70.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.623 175.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.616 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -64.38 -44.9 89.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 175.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.85 -35.37 80.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.375 0.607 . . . . 0.0 110.088 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.683 ' HB3' HG21 ' A' ' 96' ' ' THR . 0.4 OUTLIER -68.83 -42.36 77.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.151 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' CA ' HG23 ' A' ' 96' ' ' THR . . . -75.39 -13.85 60.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.383 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -27.21 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 0.0 111.134 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.517 ' HB3' HD11 ' A' ' 71' ' ' ILE . 31.7 mtp85 -100.12 -42.06 6.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.759 0.314 . . . . 0.0 111.427 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -9.2 58.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.954 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -73.84 -55.53 3.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.639 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.782 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 19.6 Cg_exo -66.7 -30.14 42.11 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.739 1.626 . . . . 0.0 111.194 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.471 ' CE1' ' HB1' ' A' ' 64' ' ' ALA . 1.4 t80 -65.58 -42.69 91.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.537 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -72.03 -28.37 63.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.344 0.592 . . . . 0.0 109.93 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -73.55 -35.64 65.53 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.099 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -66.57 -50.64 62.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.607 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.7 mtt -55.59 -49.56 72.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.375 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -41.59 86.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.313 -177.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 m -78.71 -36.27 43.7 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.387 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.97 -52.18 9.83 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -175.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.537 ' HE2' ' HB3' ' A' ' 109' ' ' LYS . 0.7 OUTLIER -65.01 -36.81 85.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.837 0.351 . . . . 0.0 110.735 -176.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -41.18 86.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.237 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -68.43 -31.96 71.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.099 0.476 . . . . 0.0 110.26 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' HA ' ' NE ' ' A' ' 117' ' ' ARG . 3.6 mp -74.6 -36.84 63.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.858 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -36.42 42.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.932 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -75.47 151.57 38.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.107 0.48 . . . . 0.0 111.452 -175.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.94 104.58 6.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.578 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -64.12 136.16 57.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.199 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.3 tp -104.35 132.5 50.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.348 0.594 . . . . 0.0 109.968 175.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -126.92 156.16 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.877 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -118.98 -52.19 2.32 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.64 159.02 26.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.598 -172.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.855 HG13 ' HA ' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -52.88 -37.44 25.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.945 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -43.38 84.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.715 0.293 . . . . 0.0 111.479 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.71 -34.35 67.06 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.265 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.702 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -65.61 -38.42 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.616 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.32 -35.97 76.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.944 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.41 -37.29 62.75 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.538 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -55.63 -45.46 77.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.029 -0.585 . . . . 0.0 110.624 174.371 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.702 HG12 ' O ' ' A' ' 47' ' ' ILE . 1.4 mm -68.81 -41.03 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.627 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.6 m -59.76 -45.01 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.28 69.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.797 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.432 ' O ' ' HB3' ' A' ' 57' ' ' PHE . 1.9 t60 -75.85 -32.74 59.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.543 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.29 -41.35 61.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.393 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -64.94 -30.17 71.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.402 0.62 . . . . 0.0 109.617 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 31.9 t80 -61.52 -38.1 86.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.572 174.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.687 ' HE3' HD12 ' A' ' 61' ' ' LEU . 4.8 mmmm -70.68 -12.67 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.292 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.433 ' O ' ' HD2' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -96.71 -31.83 12.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.214 0.53 . . . . 0.0 110.073 177.56 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -76.86 -24.66 52.63 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.334 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.687 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.0 OUTLIER -56.4 -55.55 41.21 Favored Pre-proline 0 C--O 1.222 -0.37 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.811 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 52.3 Cg_exo -56.77 -35.94 98.26 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.055 1.836 . . . . 0.0 112.539 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -70.24 -46.37 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.123 0.487 . . . . 0.0 110.801 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.471 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -71.32 -30.21 65.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.641 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.484 ' O ' ' HD2' ' A' ' 68' ' ' ARG . 2.9 t70 -61.03 -46.18 91.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.958 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -41.26 94.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.492 177.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' A' ' 20' ' ' ARG . 42.0 mm-40 -60.53 -41.79 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.852 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HD2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -57.89 -41.09 81.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.99 -179.057 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -39.82 61.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.891 0.377 . . . . 0.0 110.605 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.34 -15.01 63.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.247 0.546 . . . . 0.0 111.047 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.556 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -91.28 -36.24 7.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -68.0 -28.25 67.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.402 173.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.72 85.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.769 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 71' ' ' ILE . 18.5 mt -65.67 -42.58 92.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.445 0.641 . . . . 0.0 110.309 177.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -71.85 -15.92 62.14 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.913 -179.036 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -40.52 71.72 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -74.74 -37.71 62.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.191 0.52 . . . . 0.0 109.608 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.51 -5.78 55.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.404 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -104.27 -41.32 5.82 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.217 175.355 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 ptt85 -61.06 -22.98 65.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.309 . . . . 0.0 111.05 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.413 HG21 HG21 ' A' ' 10' ' ' ILE . 1.5 pp -63.89 -45.07 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.019 0.438 . . . . 0.0 110.084 175.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.44 -19.95 44.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.225 0.536 . . . . 0.0 110.5 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.265 175.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.616 ' CD2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.453 0 CA-C-O 121.486 0.66 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.683 HG21 ' HB3' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -86.61 75.06 9.75 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.87 -177.398 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.54 51.37 2.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.073 0.939 . . . . 0.0 110.787 174.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.508 HG23 HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -135.6 96.35 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 114.145 -1.389 . . . . 0.0 110.055 -178.39 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.681 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -75.7 154.56 85.36 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.543 -178.143 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.681 ' HD2' HG22 ' A' ' 99' ' ' THR . 9.2 Cg_endo -52.36 -40.67 70.16 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.99 2.46 . . . . 0.0 112.802 -178.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -68.21 -42.13 80.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.976 0.417 . . . . 0.0 110.08 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.662 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -57.77 -34.75 48.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.047 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.4 -31.66 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.425 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -75.65 -51.94 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.608 0.242 . . . . 0.0 111.246 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 m -67.21 -31.15 71.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.884 0.373 . . . . 0.0 110.593 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.662 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -63.94 -43.35 96.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 174.774 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -62.51 -40.94 98.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.613 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -39.56 90.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.074 0.464 . . . . 0.0 110.456 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 5.2 ttmt -66.35 -40.91 90.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.401 176.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 114' ' ' VAL . 54.6 t -57.03 -46.25 84.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 110.438 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -59.28 -45.13 92.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.453 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.5 pt20 -74.92 -20.05 59.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.263 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.419 ' HB3' HD23 ' A' ' 35' ' ' LEU . 3.7 mt -84.64 -14.53 48.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.603 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.445 HG11 ' HD3' ' A' ' 58' ' ' LYS . 37.9 t -62.22 -58.5 17.16 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.486 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.84 -26.21 44.91 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.129 1.886 . . . . 0.0 112.06 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.518 ' HA ' ' HD3' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -68.9 -51.76 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.22 178.238 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -65.33 -33.04 75.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.941 176.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.13 -31.91 73.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.057 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.38 -45.77 52.9 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.103 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.38 71.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 50' ' ' LEU . 21.3 mt -67.74 -48.95 64.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.807 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 1.015 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -66.35 -30.04 70.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.728 -179.24 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -46.5 87.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.593 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -79.54 -38.61 33.81 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.355 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 1.015 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -63.37 -27.7 69.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.587 0.232 . . . . 0.0 111.466 -178.497 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 14.7 m -78.83 -7.82 58.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.384 0.611 . . . . 0.0 110.587 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -111.43 -5.41 14.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.686 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -131.6 85.91 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.193 -175.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.855 ' HA ' HG13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.21 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.111 176.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.496 ' HA ' ' HB2' ' A' ' 11' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.573 0.225 . . . . 0.0 111.16 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.0 86.73 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.613 0.721 . . . . 0.0 109.316 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.576 HG21 HG12 ' A' ' 81' ' ' ILE . 1.1 pt -89.24 -7.37 10.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.801 178.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.496 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -77.05 -32.4 56.89 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.432 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.508 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 71.1 mm-40 -69.22 -21.32 63.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.873 171.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.5 mt -79.35 -39.27 33.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.42 ' CE1' HD12 ' A' ' 10' ' ' ILE . 48.3 m170 -59.65 -30.36 68.69 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 171.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.601 HD23 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -61.44 -52.39 64.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.687 177.225 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -28.27 67.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.409 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.432 ' HE2' ' CB ' ' A' ' 75' ' ' HIS . 1.7 t80 -67.67 -45.46 75.15 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.3 -14.18 61.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.476 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 -8.3 24.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.545 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 20' ' ' ARG . 1.1 mtt-85 -118.3 -41.7 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.374 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.34 -11.89 60.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.724 0.297 . . . . 0.0 110.631 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -73.63 -58.1 2.37 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.961 -177.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 33.0 Cg_endo -66.08 -29.11 48.59 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.504 1.47 . . . . 0.0 111.106 175.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.484 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.6 t80 -67.85 -41.7 82.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.407 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.702 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.4 t-20 -68.99 -31.33 70.1 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -68.85 -37.37 79.07 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.111 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -69.35 -46.9 65.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.776 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.69 ' HB3' ' HE3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -55.28 -29.82 58.92 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.009 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.702 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 4.8 mm-40 -72.72 -64.1 1.03 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.598 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -39.93 93.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.831 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.73 -53.89 10.43 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -39.65 94.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.13 -175.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -37.65 85.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.338 -178.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.45 -35.71 70.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 109.958 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -40.85 88.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.029 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -15.34 43.02 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.355 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.6 150.11 34.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.937 0.398 . . . . 0.0 110.956 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.5 mtm -87.62 105.6 17.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.765 177.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -64.75 141.09 58.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.802 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 40' ' ' ILE . 8.2 tp -120.66 134.75 63.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.668 172.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.848 HG21 HG12 ' A' ' 47' ' ' ILE . 17.2 m -124.68 155.94 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.926 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -115.83 -53.29 2.58 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.252 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.3 p -102.21 166.06 10.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.888 ' HB ' ' HA ' ' A' ' 129' ' ' GLN . 0.6 OUTLIER -67.82 -21.31 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.267 0.556 . . . . 0.0 109.92 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.15 -50.66 69.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.965 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.25 -31.75 73.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.0 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.848 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -65.73 -34.02 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.255 -179.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -80.57 -31.4 36.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.05 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.64 -41.27 75.83 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -58.1 -44.77 87.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.327 0.584 . . . . 0.0 110.531 176.467 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.419 HG12 ' HB3' ' A' ' 121' ' ' LEU . 70.1 mt -73.89 -35.28 42.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.336 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -60.06 -41.08 91.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.971 0.415 . . . . 0.0 110.017 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.15 -33.08 74.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.82 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' PHE . 1.1 t60 -71.78 -38.25 70.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.603 178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.74 -51.33 62.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.538 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -63.52 -25.51 68.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.408 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 34.8 t80 -60.81 -36.79 79.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.226 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.681 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -72.15 -11.5 60.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.012 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.29 -30.72 13.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.295 0.569 . . . . 0.0 110.253 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.29 -25.16 54.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.959 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.681 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.5 mt -57.35 -56.13 37.12 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.143 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 18.2 Cg_endo -59.08 -31.0 94.75 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.909 1.74 . . . . 0.0 112.582 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -72.53 -48.65 38.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.3 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.416 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -72.39 -29.1 63.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.17 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.451 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 16.2 t0 -64.15 -47.04 81.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.146 0.498 . . . . 0.0 110.24 177.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -33.08 75.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.09 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -63.44 -45.07 92.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.509 176.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -61.19 -42.64 98.94 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.931 0.396 . . . . 0.0 110.41 178.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -65.42 -37.74 87.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.55 -20.12 60.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.254 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -84.65 -37.42 12.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 72' ' ' LEU . 9.8 mt -67.88 -28.73 67.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.062 172.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.53 -36.88 79.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.42 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.4 mt -67.76 -43.79 86.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.995 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.432 ' CB ' ' HE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -74.31 -13.17 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.287 -177.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 11.6 mttt -58.73 -49.32 78.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.704 0.288 . . . . 0.0 110.879 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -80.68 -29.44 36.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.417 0.627 . . . . 0.0 109.743 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.497 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -75.58 -21.02 58.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.444 -177.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -32.73 11.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.709 0.29 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -62.42 -31.38 72.06 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -173.461 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.576 HG12 HG21 ' A' ' 10' ' ' ILE . 2.4 pp -66.46 -33.41 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.229 0.537 . . . . 0.0 110.236 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.02 -25.67 29.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.692 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.338 176.391 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.601 ' CE2' HD23 ' A' ' 15' ' ' LEU . 10.6 m-85 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.735 0.302 . . . . 0.0 111.395 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.6 t -128.81 142.08 51.09 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.018 -175.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.2 m -108.46 67.54 0.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.39 0.614 . . . . 0.0 111.2 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.89 109.48 12.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.603 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.406 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -80.35 158.4 71.73 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.249 177.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' A' ' 99' ' ' THR . 12.4 Cg_endo -56.04 -37.1 96.73 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.608 2.206 . . . . 0.0 111.748 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.53 -38.82 74.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.504 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -40.91 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.4 -36.51 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -177.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -76.04 -40.26 53.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.574 0.226 . . . . 0.0 111.521 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 m -75.45 -29.86 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.988 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.69 ' HE3' ' HB3' ' A' ' 28' ' ' MET . 0.2 OUTLIER -66.11 -44.13 85.21 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.014 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.451 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 64.7 t-105 -57.83 -42.58 84.64 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.407 176.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.508 ' HB3' ' HE2' ' A' ' 109' ' ' LYS . 1.6 tm-20 -53.05 -42.89 66.22 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.533 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.508 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 3.0 mmtt -77.27 -33.96 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.737 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 106' ' ' LYS . 41.9 t -56.8 -47.85 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.629 177.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.415 HE21 HD13 ' A' ' 61' ' ' LEU . 3.6 mm-40 -59.53 -41.58 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.773 -178.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 6.4 pt20 -82.09 -12.43 58.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.604 -174.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.4 mt -88.95 -15.81 33.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.978 0.418 . . . . 0.0 110.94 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.83 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 64.1 t -60.6 -59.24 14.48 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.297 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.83 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 31.7 Cg_exo -62.05 -35.63 75.12 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.535 2.157 . . . . 0.0 112.645 -178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -58.78 -50.65 73.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.114 0.483 . . . . 0.0 110.199 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -70.85 -30.98 67.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.593 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -35.77 80.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.545 0.688 . . . . 0.0 109.981 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -72.65 -44.33 62.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.186 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.83 87.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.799 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.419 ' HB3' HG12 ' A' ' 51' ' ' ILE . 16.8 mt -65.55 -51.69 58.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.414 -176.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.645 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -63.21 -38.25 90.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.106 -178.099 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -40.65 95.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.869 0.366 . . . . 0.0 110.538 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.33 -52.99 15.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.645 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -57.79 -27.0 62.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.761 -175.215 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.6 m -65.38 -33.7 76.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.788 0.328 . . . . 0.0 111.76 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.13 9.97 28.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.944 0.402 . . . . 0.0 110.093 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -132.25 24.46 4.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -174.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.888 ' HA ' ' HB ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.234 -0.888 . . . . 0.0 109.676 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.23 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.18 85.52 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.207 0.527 . . . . 0.0 109.901 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.601 ' HB ' ' HA ' ' A' ' 78' ' ' ALA . 1.2 pp -85.25 -13.74 11.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.579 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.9 t0 -75.19 -30.45 60.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.872 175.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -69.5 -30.22 68.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.641 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.52 -9.88 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 0.0 110.182 175.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -60.13 -28.95 68.31 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 171.609 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.7 OUTLIER -60.19 -39.93 88.24 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.925 177.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.79 -34.54 78.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.99 -45.73 80.56 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HA ' ' OG1' ' A' ' 96' ' ' THR . . . -71.77 -21.71 61.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.808 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.98 -23.27 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.098 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -105.17 -37.33 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.903 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -20.35 64.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.893 0.377 . . . . 0.0 110.176 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.34 -58.34 10.68 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.861 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 40.9 Cg_endo -68.12 -33.31 25.43 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.456 1.437 . . . . 0.0 111.753 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.92 -41.77 97.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.721 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -72.06 -24.29 61.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.304 0.574 . . . . 0.0 110.099 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -72.39 -41.48 66.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.99 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -65.53 -47.06 77.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.104 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.628 ' HE2' ' HE3' ' A' ' 107' ' ' TRP . 1.8 mmt -54.77 -38.2 66.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.302 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -53.1 44.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.7 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -41.71 81.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.882 0.372 . . . . 0.0 111.114 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.02 -52.87 24.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.577 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.503 ' HE2' ' HB2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -61.03 -36.72 80.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.727 0.299 . . . . 0.0 110.77 -177.136 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.91 -46.05 83.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.594 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -73.54 -31.11 63.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.398 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -58.08 -29.97 65.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.349 -175.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' H ' ' HG2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -101.91 -11.99 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.876 0.37 . . . . 0.0 111.582 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.26 152.1 24.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.989 0.423 . . . . 0.0 111.654 -172.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.77 111.12 19.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.298 0.571 . . . . 0.0 110.447 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 121' ' ' LEU . 26.4 p90 -69.53 139.87 53.85 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.067 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 tp -106.88 133.29 51.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.282 0.563 . . . . 0.0 110.237 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.61 HG12 HD23 ' A' ' 50' ' ' LEU . 23.5 m -118.22 161.09 17.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.715 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -120.46 -50.5 2.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.023 0.439 . . . . 0.0 110.601 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.491 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.8 OUTLIER -113.0 168.69 9.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.996 179.471 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -43.77 90.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.09 0.471 . . . . 0.0 110.627 177.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.491 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 52.9 mp0 -58.33 -33.36 69.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.191 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.99 -36.09 79.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.612 HG13 ' HG3' ' A' ' 128' ' ' GLN . 0.2 OUTLIER -67.11 -34.82 72.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.33 -32.56 49.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.962 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.79 -30.94 65.36 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.61 HD23 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -62.29 -40.04 94.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.207 173.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.636 HD13 HD22 ' A' ' 121' ' ' LEU . 6.8 mm -60.7 -41.82 89.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.076 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 m -60.74 -32.28 71.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.928 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.59 -7.37 43.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.202 0.525 . . . . 0.0 111.005 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.78 -42.04 5.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.65 -47.72 74.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.191 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -72.38 -21.43 61.29 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.132 0.491 . . . . 0.0 109.886 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -68.73 -37.79 79.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.91 -22.38 66.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.15 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -84.6 -29.0 26.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.076 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -19.35 47.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.035 0.445 . . . . 0.0 110.756 175.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.4 mt -57.69 -52.27 75.57 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.525 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 11.8 Cg_endo -55.77 -35.97 94.42 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.174 1.916 . . . . 0.0 112.883 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -77.61 -42.89 33.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.792 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.68 -33.9 73.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.975 0.417 . . . . 0.0 110.837 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 8.8 t70 -61.76 -38.23 87.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.317 0.58 . . . . 0.0 110.01 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.2 -45.93 91.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.364 176.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.85 -38.92 90.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.219 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.03 -41.35 92.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.694 0.283 . . . . 0.0 110.732 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -74.86 -37.36 62.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.699 0.285 . . . . 0.0 110.411 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.21 -21.28 64.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.701 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.651 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -85.4 -38.28 12.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.72 -31.26 72.16 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.234 173.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.6 99.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.407 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 71' ' ' ILE . 23.6 mt -62.24 -44.05 98.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.576 177.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.704 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -70.34 -15.11 62.83 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.905 -178.159 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -42.98 98.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -79.83 -35.0 38.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.55 176.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.601 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -82.15 4.34 23.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.902 -176.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -122.86 -24.44 4.81 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.203 176.129 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -60.77 -30.62 70.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.382 -175.354 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.46 HG12 HG12 ' A' ' 10' ' ' ILE . 2.0 pp -71.28 -27.14 28.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.388 0.613 . . . . 0.0 110.809 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.12 -30.56 43.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 62.5 mt-10 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.392 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.601 ' CD2' HD13 ' A' ' 15' ' ' LEU . 4.5 m-30 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.897 0.38 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.689 ' CG2' HG22 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -128.67 109.43 11.33 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.311 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.5 m -62.38 -34.64 77.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.926 -171.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.689 HG22 ' CG2' ' A' ' 96' ' ' THR . 2.7 m -45.08 136.85 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -175.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.683 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -94.8 167.77 12.47 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.534 174.173 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.704 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 21.7 Cg_endo -59.46 -32.04 95.73 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.357 2.038 . . . . 0.0 111.582 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -74.74 -31.88 61.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.782 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.572 HG12 ' OG1' ' A' ' 99' ' ' THR . 2.0 mm -56.13 -52.04 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.557 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -80.54 -32.23 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.859 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -74.17 -46.38 42.56 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.154 -0.219 . . . . 0.0 111.309 -177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.2 m -70.37 -31.05 68.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.706 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 1.1 mttm -64.36 -42.8 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.628 ' HE3' ' HE2' ' A' ' 28' ' ' MET . 64.1 t-105 -58.82 -43.08 90.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.239 176.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.86 -43.72 90.89 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 10.7 mmtt -65.22 -33.81 76.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.522 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.0 t -63.54 -45.68 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.527 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -61.76 -36.32 80.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.443 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 2.0 pp0? -84.66 -5.1 59.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.463 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.8 mt -93.71 -14.16 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.171 0.51 . . . . 0.0 110.362 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.495 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 79.1 t -58.12 -55.07 49.17 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.736 178.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 19.6 Cg_endo -58.73 -28.14 85.69 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.495 2.13 . . . . 0.0 113.262 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -67.08 -57.27 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.179 0.514 . . . . 0.0 110.264 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -68.08 -24.25 65.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.591 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -41.04 91.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.303 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -78.28 -41.25 34.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.046 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 124' ' ' GLU . . . -60.43 -40.79 92.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.349 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.636 HD22 HD13 ' A' ' 51' ' ' ILE . 15.3 mt -67.56 -51.05 55.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.168 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -59.92 -44.68 94.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.501 -177.213 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -40.19 95.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.875 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -71.88 -42.23 67.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.423 -178.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -25.45 64.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.766 0.317 . . . . 0.0 110.642 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.1 m -80.65 -13.85 58.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.992 0.425 . . . . 0.0 110.231 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -87.49 -2.06 58.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.997 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.612 ' HG3' HG13 ' A' ' 47' ' ' ILE . 8.2 mm-40 -103.58 -141.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.478 -179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.431 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 49.3 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.608 -175.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.551 0.215 . . . . 0.0 111.361 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.57 -30.55 70.2 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.257 0.551 . . . . 0.0 110.439 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.438 HG21 HG12 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -99.66 -2.56 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.859 -179.031 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.42 -32.63 54.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.432 HE21 HD23 ' A' ' 15' ' ' LEU . 1.1 mp0 -61.47 -34.59 75.71 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 170.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -66.19 -48.74 69.69 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.977 172.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -50.05 -38.07 36.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.974 175.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.647 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -59.46 -48.45 81.6 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.509 177.382 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.08 -30.02 69.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 0.0 110.125 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.6 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 5.1 t80 -67.32 -51.83 47.72 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.3 -25.44 66.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.467 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -29.78 55.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.033 0.444 . . . . 0.0 111.004 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.78 ' HB3' HD11 ' A' ' 71' ' ' ILE . 1.8 mtp85 -97.52 -32.65 11.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -70.88 -16.82 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.831 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -71.93 -57.42 3.99 Favored Pre-proline 0 CA--C 1.532 0.266 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.256 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.831 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 19.6 Cg_exo -66.51 -30.61 43.23 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 121.906 1.737 . . . . 0.0 111.321 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HE2' ' HB3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -66.64 -41.88 87.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.288 177.211 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.9 t-20 -74.4 -21.73 59.5 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.165 0.507 . . . . 0.0 110.284 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.69 -40.99 63.22 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -66.64 -50.75 61.96 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.192 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.498 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 8.8 mmt -50.87 -50.88 56.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.855 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.28 -44.5 83.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.955 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -71.58 -36.46 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.902 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.29 -45.06 57.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.82 0.343 . . . . 0.0 111.241 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.438 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 3.6 ttt -64.45 -33.49 76.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.132 0.491 . . . . 0.0 110.246 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.44 -46.64 47.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.984 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.85 -42.09 97.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mp -74.61 -21.33 59.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.399 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -90.67 -32.56 16.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.167 0.508 . . . . 0.0 110.821 179.356 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.22 131.72 49.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.073 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.9 mmt -77.86 100.81 6.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.632 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -61.46 133.4 55.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.16 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 tp -108.39 133.74 52.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.137 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 47' ' ' ILE . 19.0 m -126.73 156.75 37.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -123.81 -51.19 1.82 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.612 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -111.94 174.34 5.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.95 -176.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.507 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -74.4 -26.57 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.456 -178.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.612 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 2.2 mp0 -58.51 -47.77 83.03 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.226 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 3.6 mt-10 -74.08 -29.66 61.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.303 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.605 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -66.11 -39.12 83.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.09 -40.69 82.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.199 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.67 -31.58 65.02 Favored Glycine 0 CA--C 1.509 -0.302 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -58.32 -43.31 88.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.861 -0.67 . . . . 0.0 110.397 173.594 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.605 HG12 ' O ' ' A' ' 47' ' ' ILE . 5.5 mm -64.74 -45.23 95.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.155 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -32.74 71.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.758 0.313 . . . . 0.0 111.188 -178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.34 -31.72 73.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.115 0.483 . . . . 0.0 110.916 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -85.13 -30.18 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.284 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.22 -51.3 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.691 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -69.64 -20.49 63.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -66.18 -38.53 88.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.877 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.615 ' HE3' HD12 ' A' ' 61' ' ' LEU . 9.9 mmmm -69.15 -14.5 63.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.078 176.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m -94.14 -27.69 16.09 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.615 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -22.66 38.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.613 176.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.6 mt -55.4 -59.29 11.53 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.979 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.58 -29.65 90.41 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.04 1.827 . . . . 0.0 112.494 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -71.36 -52.75 16.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.294 0.568 . . . . 0.0 110.151 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 68' ' ' ARG . . . -71.72 -32.65 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.391 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 26.6 t70 -62.27 -39.22 92.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.149 0.5 . . . . 0.0 110.753 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -72.34 -37.99 68.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.107 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -37.42 85.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.246 -175.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -62.88 -37.51 87.21 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.315 179.286 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.12 -35.44 64.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.88 0.372 . . . . 0.0 110.445 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.26 -22.9 61.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.561 . . . . 0.0 110.712 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.78 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -83.18 -36.84 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -66.41 -25.06 66.58 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.497 171.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -71.54 -45.3 62.73 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.892 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.6 mt -63.53 -39.14 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.769 0.795 . . . . 0.0 109.52 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.6 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 1.7 t60 -72.81 -14.59 61.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.108 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -65.36 -45.49 83.96 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.212 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -79.19 -32.46 44.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.166 0.508 . . . . 0.0 110.131 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.11 1.69 42.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.821 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.11 -40.5 2.5 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -26.11 68.46 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.168 -174.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.438 HG12 HG21 ' A' ' 10' ' ' ILE . 1.9 pp -62.51 -42.84 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 121.178 0.513 . . . . 0.0 109.861 175.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.29 -39.88 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.175 -176.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.753 0.311 . . . . 0.0 111.273 -178.112 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.647 ' HE2' HD22 ' A' ' 15' ' ' LEU . 2.8 m-85 . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 121.084 0.469 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.838 HG23 HG13 ' A' ' 98' ' ' VAL . 0.8 OUTLIER -122.96 115.21 21.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.6 0.715 . . . . 0.0 110.121 -177.036 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.1 m -80.18 -29.64 38.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.171 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.838 HG13 HG23 ' A' ' 96' ' ' THR . 0.5 OUTLIER -48.44 128.45 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.87 177.088 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.614 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -104.78 163.38 17.32 Favored Pre-proline 0 N--CA 1.446 -0.671 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.333 -179.264 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.614 ' HD2' HG22 ' A' ' 99' ' ' THR . 11.1 Cg_endo -54.8 -39.55 89.25 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.879 2.386 . . . . 0.0 111.997 178.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -68.18 -40.94 82.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.191 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -56.6 -34.9 43.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.4 -36.28 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.59 -41.52 26.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.568 0.223 . . . . 0.0 111.407 -176.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.6 m -69.97 -33.45 72.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.688 0.28 . . . . 0.0 110.454 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.498 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -65.59 -43.42 89.74 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.218 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.491 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.4 t-105 -56.0 -45.92 78.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.107 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -34.2 71.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.475 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.3 mttm -80.72 -36.74 31.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.643 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.68 -44.1 99.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.532 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 3.9 mm100 -57.81 -47.7 81.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.742 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 1.4 pt20 -71.63 -14.33 62.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.328 -177.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.3 mt -84.41 -19.28 33.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.029 0.442 . . . . 0.0 110.295 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.703 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 87.7 t -61.38 -54.81 49.32 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.989 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.703 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 38.5 Cg_exo -61.74 -36.97 71.37 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.278 1.985 . . . . 0.0 112.204 178.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' A' ' 112' ' ' GLN . 12.7 mttm -58.67 -50.6 73.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.341 0.591 . . . . 0.0 110.189 177.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -68.21 -34.26 75.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.597 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -63.94 -32.42 73.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.994 0.426 . . . . 0.0 110.549 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -86.74 -41.54 14.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.238 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.11 90.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.423 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 50' ' ' LEU . 31.0 mt -62.8 -50.58 70.44 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.446 178.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.495 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -58.38 -44.48 88.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.16 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.12 -46.49 89.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.602 0.239 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.403 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -70.87 -41.85 70.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.777 -177.262 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.495 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -69.05 -23.38 64.04 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.842 -178.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.6 m -86.81 -12.18 48.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 110.745 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -19.86 52.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 0.0 109.752 175.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -92.52 -145.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.974 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.36 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.222 0 CA-C-O 121.157 0.504 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.06 -41.28 64.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.683 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.465 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.8 pp -77.25 -16.59 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.294 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 20.5 t70 -80.39 -24.72 39.52 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.106 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -82.01 -13.93 56.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.359 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.465 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 1.4 pp -102.56 -2.54 28.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 168.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -64.49 -36.22 83.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.473 175.044 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.91 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -80.08 -17.62 52.17 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.412 -179.416 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.57 -43.01 91.14 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.394 172.085 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' CD1' HG21 ' A' ' 96' ' ' THR . 2.7 t80 -57.95 -49.44 76.78 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 171.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.741 ' HB2' ' HB ' ' A' ' 96' ' ' THR . . . -61.25 -30.13 70.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.907 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.39 -29.0 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.689 0.28 . . . . 0.0 111.119 -176.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 -95.82 -37.28 10.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.041 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -69.82 -19.05 63.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.246 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.491 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -69.24 -59.58 4.93 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.392 -176.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 45.1 Cg_endo -69.47 -25.23 30.16 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.226 1.284 . . . . 0.0 111.261 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.689 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.9 t80 -69.21 -41.2 77.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.347 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -68.68 -33.08 73.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.174 0.511 . . . . 0.0 110.062 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.06 -36.21 72.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.386 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -69.36 -49.17 58.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.063 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.636 ' HE1' HG13 ' A' ' 103' ' ' ILE . 17.0 mtm -60.14 -43.04 96.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.364 -176.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.47 -42.49 92.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.637 0.256 . . . . 0.0 110.579 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.5 m -66.81 -41.3 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.345 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 35' ' ' LEU . . . -65.12 -46.86 79.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.579 ' HE1' ' HG3' ' A' ' 106' ' ' LYS . 19.2 ttm -59.95 -35.41 74.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.803 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.54 -48.65 25.69 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.641 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.39 -31.79 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 -175.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 3.8 mp -77.04 -28.62 54.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.961 -178.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -78.68 -39.26 37.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.056 -179.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -78.14 154.33 31.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.655 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.45 168.49 19.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.506 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -124.87 124.24 41.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.14 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -86.63 130.64 36.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.157 0.503 . . . . 0.0 109.701 175.075 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.451 HG12 HD23 ' A' ' 50' ' ' LEU . 28.7 m -126.45 149.19 31.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.394 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -111.65 -46.99 3.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.215 0.531 . . . . 0.0 110.169 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.527 ' HB ' ' HG3' ' A' ' 45' ' ' GLU . 1.2 p -134.33 170.33 15.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.682 -174.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.513 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.91 -33.72 53.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.953 0.406 . . . . 0.0 110.615 178.379 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.527 ' HG3' ' HB ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -50.59 -38.94 48.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.347 176.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.85 -32.69 27.35 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 120.908 0.385 . . . . 0.0 110.563 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.722 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -62.34 -41.91 93.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.171 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.04 -28.64 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.112 0.482 . . . . 0.0 110.094 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.17 -38.2 54.63 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -58.25 -46.19 86.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.693 -0.754 . . . . 0.0 110.955 174.65 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.722 HG12 ' O ' ' A' ' 47' ' ' ILE . 4.2 mm -64.37 -40.62 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.362 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.5 m -58.26 -35.52 71.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.981 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . -65.24 -19.11 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.005 0.431 . . . . 0.0 111.14 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.75 -29.82 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -64.86 -50.66 65.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.401 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.405 ' HB2' HE21 ' A' ' 56' ' ' GLN . 0.8 OUTLIER -68.81 -24.64 64.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.878 177.251 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 31.9 t80 -69.95 -44.72 68.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.262 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.687 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.16 -20.06 62.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.569 175.013 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -92.76 -28.25 16.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.161 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -21.52 27.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.801 0.334 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.687 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.8 mt -54.34 -55.73 34.08 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.682 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.508 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 33.8 Cg_exo -58.27 -28.87 85.98 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.054 1.836 . . . . 0.0 112.433 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.54 -53.77 9.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.282 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.6 -29.92 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.103 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.482 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 30.4 t70 -63.03 -47.89 81.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.765 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -27.1 63.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.438 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.11 -41.28 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.689 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -63.12 -38.79 92.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.043 0.449 . . . . 0.0 110.181 177.29 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -42.28 94.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.935 175.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.71 -16.3 63.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.442 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -83.9 -39.04 14.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.474 ' O ' ' HD2' ' A' ' 75' ' ' HIS . 34.1 mt -68.53 -27.06 65.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.286 173.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.41 -33.94 77.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.525 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 71' ' ' ILE . 20.8 mt -71.85 -41.81 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.006 175.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.474 ' HD2' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -72.78 -14.75 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.432 -177.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -40.23 90.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.567 0.222 . . . . 0.0 110.627 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.434 ' HA ' ' HG2' ' A' ' 80' ' ' ARG . 61.2 mm-40 -81.04 -33.84 33.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 110.447 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.49 -6.14 59.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.845 -174.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.61 -37.17 5.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.211 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 12.8 ptt85 -60.21 -35.22 74.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.912 -178.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 2.2 pp -63.41 -35.48 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.295 0.569 . . . . 0.0 110.14 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.72 49.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.66 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.81 -179.684 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.467 ' CE2' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.954 0.407 . . . . 0.0 110.232 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.741 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -119.59 134.83 55.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.399 -176.379 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 m -103.68 -27.53 12.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.461 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.461 HG21 ' HB1' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -43.83 105.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 114.456 -1.247 . . . . 0.0 112.878 -179.642 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.842 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -82.89 161.15 59.12 Favored Pre-proline 0 N--CA 1.448 -0.543 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.925 177.443 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.842 ' HD2' HG22 ' A' ' 99' ' ' THR . 10.2 Cg_endo -51.43 -42.29 55.8 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.844 2.363 . . . . 0.0 112.535 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -69.4 -34.26 74.23 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.511 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.1 -44.74 84.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.636 HG13 ' HE1' ' A' ' 28' ' ' MET . 0.3 OUTLIER -75.49 -32.5 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.11 -178.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -72.25 -49.9 31.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.393 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.1 m -58.12 -34.91 70.73 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.983 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.601 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -63.68 -48.57 76.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.349 177.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.482 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 71.9 t-105 -59.82 -41.84 92.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.568 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -38.24 85.73 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.38 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -41.02 91.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.718 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.07 -43.26 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.619 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -59.84 -45.85 91.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.797 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.0 -1.34 28.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.286 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 9.2 mt -100.52 -14.74 18.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.988 0.423 . . . . 0.0 110.349 176.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.785 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 98.6 t -60.71 -58.31 20.19 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.607 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.785 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 24.8 Cg_exo -64.29 -36.2 47.1 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.324 2.016 . . . . 0.0 112.28 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -47.95 83.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.127 0.489 . . . . 0.0 110.426 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.412 HH12 HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -72.17 -31.27 65.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.046 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -67.36 -32.27 73.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.156 0.503 . . . . 0.0 109.807 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.482 ' O ' ' HG2' ' A' ' 123' ' ' GLU . 5.1 t-160 -68.45 -50.13 54.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.268 -178.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 124' ' ' GLU . . . -61.02 -36.67 80.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.702 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 51' ' ' ILE . 23.6 mt -68.29 -47.8 66.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.242 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.6 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 14.8 mt -66.37 -41.95 88.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.866 -175.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 119' ' ' HIS . 18.0 pt-20 -74.54 -23.13 58.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.731 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -78.75 -44.46 23.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.664 0.269 . . . . 0.0 110.331 176.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.6 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.4 OUTLIER -67.23 -24.95 65.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.646 179.211 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 64.6 m -80.1 -21.47 43.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -5.9 58.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.482 0.658 . . . . 0.0 109.963 175.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.633 ' HG3' HG13 ' A' ' 47' ' ' ILE . 19.0 mm-40 -100.78 -152.74 0.43 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.683 175.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.045 -0.979 . . . . 0.0 109.577 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.235 0.308 0 CA-C-O 120.999 0.428 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.69 -41.01 75.99 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.188 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.478 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.5 pp -76.23 -16.55 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.968 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.1 t0 -75.42 -25.11 57.26 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -72.86 -39.07 66.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.235 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -83.18 -6.51 59.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.009 0.433 . . . . 0.0 110.167 175.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.666 ' CD2' ' HB1' ' A' ' 78' ' ' ALA . 1.0 OUTLIER -63.77 -25.68 68.29 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 172.148 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.9 OUTLIER -65.24 -32.27 73.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -65.06 -34.47 78.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.933 0.397 . . . . 0.0 110.395 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' CE1' HG23 ' A' ' 98' ' ' VAL . 1.2 t80 -64.7 -48.14 75.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 175.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.46 -17.58 62.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.785 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 -27.69 17.68 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -102.53 -33.94 9.3 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.882 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -74.83 -16.98 60.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.725 0.297 . . . . 0.0 110.214 177.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.65 -58.78 9.2 Favored Pre-proline 0 CA--C 1.53 0.21 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 26' ' ' ASN . 37.7 Cg_endo -65.8 -27.65 51.71 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.515 1.477 . . . . 0.0 111.48 177.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.22 -44.84 86.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.176 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -75.11 -21.2 59.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.48 0.657 . . . . 0.0 110.156 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.452 ' HB2' ' HA ' ' A' ' 23' ' ' PRO . 2.5 m-80 -71.32 -44.34 65.31 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -63.24 -48.21 79.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.988 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mtt -49.57 -54.27 19.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.603 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -66.35 -47.09 74.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.66 -175.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 m -66.74 -26.79 67.16 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.362 -176.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.8 -49.6 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.633 0.254 . . . . 0.0 111.62 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -35.4 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.181 -176.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -73.7 -34.18 64.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.315 -178.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.82 -38.96 83.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.316 0.579 . . . . 0.0 109.516 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.473 HD23 ' HB3' ' A' ' 113' ' ' LEU . 4.3 mp -71.14 -32.47 69.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.69 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -36.88 55.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.158 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -70.61 167.23 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.248 -178.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.48 137.41 35.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.218 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -101.18 130.07 47.21 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.267 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 tp -99.88 129.0 51.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.935 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.539 HG12 HD23 ' A' ' 50' ' ' LEU . 34.9 m -126.67 137.98 56.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.238 0.542 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -117.73 -41.11 2.95 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.064 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.463 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 10.7 p -122.66 164.87 17.45 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.556 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.495 HG23 ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -66.79 -30.37 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.377 179.147 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.495 ' OE2' HG23 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -48.82 -47.65 42.16 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.746 176.658 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.57 -33.63 66.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.626 0.25 . . . . 0.0 110.691 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.42 -35.2 74.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.327 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.88 -33.55 74.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.172 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.14 -46.33 5.63 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.696 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD23 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -51.27 -46.06 62.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.049 0.54 . . . . 0.0 111.434 176.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.608 HG12 ' HB3' ' A' ' 121' ' ' LEU . 31.1 mt -74.05 -32.1 31.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.215 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' A' ' 55' ' ' ASP . 17.2 m -64.12 -24.1 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.049 0.452 . . . . 0.0 110.729 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.52 0.48 14.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.67 0.748 . . . . 0.0 110.678 175.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -114.45 -36.63 4.55 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 171.036 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' HB3' ' HA ' ' A' ' 52' ' ' SER . 13.1 t0 -48.46 -59.47 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.659 173.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -87.92 2.28 51.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.417 ' HB2' ' HA ' ' A' ' 54' ' ' HIS . 7.4 t80 -74.54 -34.97 63.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.58 ' HE2' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -64.96 -20.28 66.4 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.772 174.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.97 -32.69 16.68 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.866 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.3 -28.69 57.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.012 0.434 . . . . 0.0 111.418 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.58 HD12 ' HE2' ' A' ' 58' ' ' LYS . 3.7 mt -60.3 -53.82 61.11 Favored Pre-proline 0 C--O 1.22 -0.465 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 13.2 Cg_endo -56.98 -36.17 99.16 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.996 1.797 . . . . 0.0 112.529 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -73.99 -47.48 36.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.177 -179.239 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 67' ' ' GLU . . . -67.61 -29.54 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -41.94 95.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.977 0.418 . . . . 0.0 110.186 176.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 64' ' ' ALA . 70.8 mm-40 -58.96 -45.24 91.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.282 176.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -26.6 68.41 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.769 0.319 . . . . 0.0 110.739 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.21 -40.53 19.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.953 0.406 . . . . 0.0 110.529 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.59 -20.4 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.108 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.533 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -86.96 -34.43 7.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -179.552 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -65.76 -29.41 69.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.01 171.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.401 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -65.97 -38.26 88.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 71' ' ' ILE . 12.7 mt -66.2 -41.36 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.397 0.618 . . . . 0.0 110.092 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.672 ' HA ' ' HB3' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -78.03 -5.8 52.53 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.143 -177.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 72' ' ' LEU . 3.5 mmmt -59.96 -55.68 31.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.25 -28.73 42.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.74 0.781 . . . . 0.0 109.516 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.672 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -82.59 -1.25 50.27 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.228 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -124.33 -44.74 1.99 Allowed 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 120.378 -0.529 . . . . 0.0 112.166 177.04 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.905 ' HA ' ' HG3' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -53.88 -29.22 40.72 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.6 pp -56.9 -42.97 79.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.473 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.61 -16.62 44.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.453 0.644 . . . . 0.0 110.419 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.905 ' HG3' ' HA ' ' A' ' 80' ' ' ARG . 1.4 mt-10 . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.541 175.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.561 ' CD2' HD13 ' A' ' 15' ' ' LEU . 11.5 m-85 . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 121.026 0.441 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.6 t -116.02 134.24 55.17 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.944 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.5 m -77.51 -25.86 50.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.502 -173.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.419 HG21 ' HB1' ' A' ' 21' ' ' ALA . 15.1 m -54.06 112.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.399 0.619 . . . . 0.0 112.319 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 100' ' ' PRO . 16.1 p -94.82 160.26 31.58 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.992 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 10.5 Cg_endo -54.19 -36.57 86.2 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.011 2.474 . . . . 0.0 112.312 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -75.84 -41.07 53.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.687 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -61.7 -40.59 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.317 . . . . 0.0 110.278 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -76.67 -31.87 20.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.403 -178.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.4 t-20 -76.74 -50.17 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.063 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -60.38 -40.01 89.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.402 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 2.8 mmtt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.908 0.385 . . . . 0.0 110.329 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -59.44 -42.63 92.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.27 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -58.75 -35.55 72.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.319 0.58 . . . . 0.0 110.899 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.57 -39.79 62.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.317 179.424 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 106' ' ' LYS . 73.9 t -55.84 -45.01 79.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.598 174.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -61.4 -40.51 94.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.281 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 4.5 pt20 -72.98 -25.29 60.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.918 0.389 . . . . 0.0 111.245 -177.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.473 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.5 mt -75.92 -18.88 59.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.733 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.891 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 57.6 t -61.23 -61.51 7.79 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.016 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.891 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 29.2 Cg_exo -62.84 -26.6 74.75 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.438 2.092 . . . . 0.0 112.233 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.45 -56.14 14.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.472 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.74 -30.57 68.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.466 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 114' ' ' VAL . 0.4 OUTLIER -57.38 -38.26 73.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.203 0.525 . . . . 0.0 110.457 177.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -76.68 -32.13 57.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.581 -175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.12 -40.41 71.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.196 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.608 ' HB3' HG12 ' A' ' 51' ' ' ILE . 16.2 mt -67.32 -45.42 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.787 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 1.7 mm? -72.91 -14.06 61.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.478 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -24.71 20.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.024 0.44 . . . . 0.0 110.371 175.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -88.65 -46.01 9.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.184 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.443 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -61.76 -26.8 68.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.51 -177.163 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -12.15 61.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.592 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -89.81 -4.28 57.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.144 0.497 . . . . 0.0 110.591 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -95.03 -133.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.454 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.609 -178.505 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.917 0.389 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.75 69.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.678 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.613 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.2 pp -83.23 -15.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.259 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 3.2 t0 -79.34 -27.11 42.05 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -71.67 -34.97 70.15 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.489 174.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.613 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 1.5 pp -88.06 -8.76 55.05 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.05 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.7 OUTLIER -61.3 -29.87 70.14 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 170.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.626 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.6 OUTLIER -64.08 -37.13 86.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.6 175.191 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.14 -34.51 77.77 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 120.964 0.412 . . . . 0.0 110.289 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.6 -48.49 72.14 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.611 ' HA ' HG21 ' A' ' 96' ' ' THR . . . -69.39 -22.0 63.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.589 -178.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -38.08 56.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.613 0.244 . . . . 0.0 111.07 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.62 ' HB3' HD11 ' A' ' 71' ' ' ILE . 8.1 mtt85 -89.88 -36.2 15.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.597 -177.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.719 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -68.75 -17.79 64.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.931 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -69.0 -56.78 8.47 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.356 -177.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 17.0 Cg_exo -66.39 -28.93 46.18 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.951 1.767 . . . . 0.0 111.47 176.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -42.01 86.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.337 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 2.1 t-20 -68.38 -31.31 70.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.569 0.699 . . . . 0.0 110.024 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.77 -22.75 53.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.233 -178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -87.64 -52.03 5.55 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.091 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.471 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -57.74 -46.01 85.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.857 -176.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -41.59 97.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.607 0.241 . . . . 0.0 111.407 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -77.45 -25.14 50.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.002 0.429 . . . . 0.0 110.846 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' O ' HD13 ' A' ' 35' ' ' LEU . . . -83.49 -48.12 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.406 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.528 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -64.09 -29.84 70.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.837 -177.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -39.59 74.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.7 -40.36 95.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.371 0.605 . . . . 0.0 110.213 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.728 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 8.3 mp -74.72 -23.35 58.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.962 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -91.89 -32.52 15.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.961 -178.342 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -76.77 176.15 8.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.456 0.646 . . . . 0.0 111.931 -174.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.9 tpt -109.12 142.02 40.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.479 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -113.66 127.52 56.08 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.573 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 40' ' ' ILE . 6.5 tp -105.52 120.83 56.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.856 0.836 . . . . 0.0 110.099 173.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.58 HG11 HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.61 96.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.695 -178.316 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -86.81 -32.58 20.24 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.91 143.97 39.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.191 -174.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -35.83 74.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -176.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -34.23 59.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.588 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -79.78 -37.19 35.85 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.454 HD11 HG21 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -59.99 -36.79 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.831 0.348 . . . . 0.0 110.441 -177.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -81.96 6.83 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.313 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -123.48 -35.0 0.72 Allowed Glycine 0 N--CA 1.455 -0.086 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.58 HD12 HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -67.69 -49.1 64.45 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.437 1.095 . . . . 0.0 110.47 178.518 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.668 HD11 ' HB3' ' A' ' 125' ' ' GLN . 29.0 mt -63.39 -40.96 91.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -31.1 69.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.396 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.28 -25.7 66.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.074 0.464 . . . . 0.0 110.717 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -97.7 -13.69 21.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.36 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -78.77 -48.55 14.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.713 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.53 -13.32 58.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.257 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -59.89 -37.63 79.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.449 175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -73.42 -13.59 61.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.62 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.01 -33.85 15.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.698 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.1 -22.81 41.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.145 176.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.8 -60.86 6.21 Favored Pre-proline 0 N--CA 1.467 0.387 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.16 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.01 -30.04 90.67 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.006 1.804 . . . . 0.0 112.515 -176.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.4 -50.37 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.347 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.27 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.519 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.46 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 1.8 t70 -61.3 -47.62 85.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.349 177.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -37.19 84.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.371 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.24 -35.9 80.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.545 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.421 ' HD2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -57.06 -43.34 81.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 178.798 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -29.74 57.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.859 0.361 . . . . 0.0 110.481 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.96 -9.8 59.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.146 0.498 . . . . 0.0 110.814 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.62 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -94.2 -39.09 10.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.019 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -65.65 -30.91 71.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.942 -1.027 . . . . 0.0 109.454 174.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.38 87.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.926 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 71' ' ' ILE . 33.4 mt -65.58 -42.12 92.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.28 0.562 . . . . 0.0 110.409 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.692 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -73.19 -16.07 61.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.932 -178.277 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -48.31 82.12 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -78.1 -30.15 49.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.974 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -87.14 -0.37 56.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.443 -175.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.539 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -116.68 -42.99 2.93 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.732 177.574 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -56.57 -32.61 65.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.635 -176.173 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.45 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 2.3 pp -61.31 -34.35 60.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.979 0.419 . . . . 0.0 110.923 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.41 -30.53 33.54 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.941 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 61.9 mt-10 . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.358 -176.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.626 ' HE2' HD22 ' A' ' 15' ' ' LEU . 19.9 m-30 . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 121.002 0.43 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.611 HG21 ' HA ' ' A' ' 18' ' ' ALA . 11.9 t -122.95 127.76 49.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 m -84.26 71.25 10.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.362 0.601 . . . . 0.0 111.666 -174.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.719 HG21 ' HB1' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -134.99 82.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.849 178.287 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.732 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.2 OUTLIER -64.04 148.24 95.5 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.732 ' HD2' HG22 ' A' ' 99' ' ' THR . 1.3 Cg_endo -44.38 -44.87 13.02 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.467 2.778 . . . . 0.0 112.521 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -63.29 -45.26 92.2 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.092 0.472 . . . . 0.0 110.65 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.571 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -61.25 -40.56 86.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.967 -177.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.455 ' O ' ' HE1' ' A' ' 28' ' ' MET . 0.5 OUTLIER -82.83 -32.29 9.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.348 -179.071 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 6.4 t-20 -73.03 -51.58 17.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.631 0.253 . . . . 0.0 110.438 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.2 m -66.18 -27.31 67.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.072 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -66.27 -47.0 75.12 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 174.168 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.46 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 57.0 t-105 -60.16 -42.27 94.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.985 175.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.4 -38.61 90.32 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.829 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -68.05 -39.72 82.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.972 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.633 ' O ' HG23 ' A' ' 114' ' ' VAL . 25.5 t -57.99 -47.61 86.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.365 176.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.14 -33.71 67.66 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.145 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -20.57 40.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.77 0.319 . . . . 0.0 111.26 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.728 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 12.6 mt -89.26 -26.05 21.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.919 -177.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.727 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 21.6 t -55.55 -57.55 20.35 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.727 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 32.2 Cg_exo -59.75 -31.99 94.93 Favored 'Trans proline' 0 C--N 1.358 1.076 0 C-N-CA 122.712 2.275 . . . . 0.0 112.775 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -60.34 -51.35 69.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.214 0.53 . . . . 0.0 110.049 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -75.06 -33.7 61.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.768 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -34.08 75.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.8 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -83.01 -41.09 19.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.185 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.48 91.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.962 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.514 HD22 HG12 ' A' ' 51' ' ' ILE . 34.4 mt -67.79 -49.62 61.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.53 11.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.512 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -113.11 -40.38 3.95 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.33 -35.19 71.12 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.181 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.668 ' HB3' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -69.07 -30.7 69.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.269 178.358 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.485 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -76.66 -28.56 56.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.347 0.594 . . . . 0.0 110.286 177.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.24 6.97 27.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.21 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.459 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 1.3 mm-40 -95.6 -133.76 0.2 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.196 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.459 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.434 -178.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 11' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.739 0.304 . . . . 0.0 111.339 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.55 81.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.403 0.62 . . . . 0.0 109.637 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.708 HG21 HG12 ' A' ' 81' ' ' ILE . 1.1 pt -96.62 -3.2 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.57 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 2.6 t0 -76.72 -26.86 55.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.399 174.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.56 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 43.6 mm-40 -71.82 -21.07 61.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.693 172.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 77' ' ' GLU . 80.9 mt -77.9 -41.86 35.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 170.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -57.95 -32.23 67.62 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.416 172.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.594 HD23 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -60.69 -49.32 77.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.253 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.09 -28.29 62.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.13 0.49 . . . . 0.0 110.164 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -49.92 53.27 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 96' ' ' THR . . . -72.74 -15.35 61.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.141 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -40.72 37.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.678 176.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.686 ' HB3' HD11 ' A' ' 71' ' ' ILE . 2.8 mtt180 -88.85 -32.84 17.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.161 -178.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.23 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.921 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.91 -59.96 6.95 Favored Pre-proline 0 CA--C 1.536 0.42 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.988 -174.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.525 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 52.7 Cg_endo -71.51 -24.57 22.13 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.385 1.39 . . . . 0.0 111.747 178.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.598 ' O ' ' HG2' ' A' ' 28' ' ' MET . 1.6 t80 -65.92 -45.76 80.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.889 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.56 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 21.1 t30 -68.65 -27.27 65.85 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.267 0.556 . . . . 0.0 110.213 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -75.02 -37.3 61.82 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.697 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -65.86 -56.69 10.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.779 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.598 ' HG2' ' O ' ' A' ' 24' ' ' PHE . 7.8 ptp -65.52 -31.37 72.4 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.267 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -69.46 -32.4 71.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 111.049 -179.516 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -87.72 -42.63 12.49 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.596 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -48.41 39.45 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.458 ' HG3' HG22 ' A' ' 110' ' ' VAL . 3.2 ttm -66.34 -35.83 81.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.31 -177.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 2.9 mt-10 -63.71 -37.01 85.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.465 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -69.61 -39.95 76.93 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.77 -36.74 79.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.796 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -88.44 -9.58 52.06 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.04 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -88.89 172.63 9.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.087 0.47 . . . . 0.0 110.859 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.74 106.05 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.288 0.566 . . . . 0.0 110.299 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -63.78 147.21 52.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.534 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 tp -118.31 134.04 63.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.737 173.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.761 HG21 HG12 ' A' ' 47' ' ' ILE . 6.2 m -126.04 163.69 27.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.891 0.377 . . . . 0.0 110.744 -176.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -123.42 -44.93 2.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.433 0.635 . . . . 0.0 109.587 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -119.47 161.51 20.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.69 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.46 HD13 ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -63.77 -30.95 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.771 -179.727 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.33 -46.29 79.98 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.379 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.48 -33.62 69.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 0.0 110.302 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.761 HG12 HG21 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -65.83 -34.61 71.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 -179.541 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HG3' HD13 ' A' ' 44' ' ' ILE . 3.6 mm-40 -81.87 -31.76 31.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.092 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.9 -32.9 78.29 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 176.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -39.71 89.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.993 -0.604 . . . . 0.0 110.299 173.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 47' ' ' ILE . 4.8 mm -65.76 -45.96 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.307 175.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -58.59 -35.2 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.034 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . -64.43 -28.5 69.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.96 177.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -87.16 -32.68 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.19 176.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.88 -56.5 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.323 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -68.84 -18.27 64.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.558 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 40.7 t80 -64.16 -39.56 94.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.037 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -70.32 -15.24 62.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.468 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -91.11 -29.97 16.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.818 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.63 -21.07 45.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.037 0.446 . . . . 0.0 110.703 175.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -57.25 -54.77 51.22 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.656 -176.081 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 9.5 Cg_endo -52.69 -37.54 75.44 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.429 2.086 . . . . 0.0 113.034 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -80.08 -45.91 17.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.643 0.259 . . . . 0.0 110.799 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.853 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . . . -65.33 -27.62 68.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.471 . . . . 0.0 110.681 178.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.88 -32.22 73.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.844 174.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -36.19 64.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.086 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.853 ' HG3' ' HA ' ' A' ' 64' ' ' ALA . 4.7 mm-40 -53.74 -54.98 30.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.454 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.509 ' HB3' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -58.14 -39.91 79.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.54 0.209 . . . . 0.0 111.354 -177.451 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -68.12 -44.62 75.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.079 0.466 . . . . 0.0 110.251 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.27 -2.19 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.3 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -100.78 -39.32 6.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.777 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -33.25 74.78 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.774 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.06 74.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.646 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.9 mt -68.98 -40.91 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.586 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.66 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -69.9 -18.31 63.39 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.889 -177.691 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -61.21 -42.9 99.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.99 0.424 . . . . 0.0 110.702 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.661 ' HA ' ' HG2' ' A' ' 80' ' ' ARG . 6.5 tt0 -83.23 -29.97 28.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.631 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.43 1.21 49.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.485 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -114.83 -34.33 5.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.099 175.676 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.661 ' HG2' ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -57.56 -33.25 67.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.387 0.429 . . . . 0.0 111.111 -175.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.708 HG12 HG21 ' A' ' 10' ' ' ILE . 2.2 pp -63.35 -36.01 74.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 110.6 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.34 -22.71 35.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.197 0.522 . . . . 0.0 110.715 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 31.4 mm-40 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.91 176.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.594 ' CE2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.517 -0.293 0 CA-C-O 121.342 0.591 . . . . 0.0 110.67 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -90.4 72.38 7.02 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.764 -172.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -88.89 48.52 1.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.193 0.997 . . . . 0.0 110.68 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.31 101.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.247 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.734 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -71.58 150.42 93.59 Favored Pre-proline 0 N--CA 1.448 -0.56 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.734 ' HD2' HG22 ' A' ' 99' ' ' THR . 73.2 Cg_endo -74.04 18.6 0.45 Allowed 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.598 2.199 . . . . 0.0 113.193 -176.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.01 -53.63 1.63 Allowed 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -177.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -43.14 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.35 175.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 tt -71.98 -33.6 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.162 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.26 -42.86 29.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.4 m -59.76 -41.21 90.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.651 173.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -37.46 87.48 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.971 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -62.13 -42.55 99.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.279 175.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.86 -34.49 77.47 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.575 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -42.99 96.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.025 175.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 114' ' ' VAL . 77.1 t -59.95 -45.8 94.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.219 177.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -56.57 -45.59 81.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.864 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -79.62 -17.1 54.57 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -174.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.52 -14.13 38.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.744 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 77.4 t -59.76 -57.13 29.09 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.42 178.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.744 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 32.2 Cg_exo -60.35 -34.75 93.17 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.599 2.199 . . . . 0.0 112.744 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -61.16 -54.35 45.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.111 0.482 . . . . 0.0 110.419 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.506 ' HE ' HD11 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -67.62 -28.84 68.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.544 178.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.93 -32.4 73.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -83.01 -40.66 19.67 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.22 87.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.415 0.447 . . . . 0.0 110.499 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.506 HD11 ' HE ' ' A' ' 117' ' ' ARG . 18.0 mt -63.89 -50.85 67.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.717 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 122' ' ' LEU . 0.7 OUTLIER -78.28 9.98 3.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.759 -176.246 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.4 ' HG3' ' HZ2' ' A' ' 127' ' ' LYS . 4.6 tp10 -109.1 -36.46 6.06 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.173 0.511 . . . . 0.0 109.778 173.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -33.64 16.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.655 -176.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.667 ' HB2' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.18 -29.03 67.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.12 0.486 . . . . 0.0 110.475 -178.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.473 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -81.21 -8.88 59.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.497 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.4 ' HZ2' ' HG3' ' A' ' 123' ' ' GLU . 4.5 mttt -93.31 -5.24 50.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.029 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.476 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 1.5 mm-40 -87.29 -135.15 0.08 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.304 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.476 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.966 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.634 0.254 . . . . 0.0 111.048 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.89 -34.84 76.08 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.304 0.573 . . . . 0.0 109.912 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.552 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -81.37 -15.57 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.558 -179.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 9.7 t70 -78.51 -24.13 45.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.527 171.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 10.6 mm-40 -73.5 -35.25 65.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.709 175.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.552 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 0.6 OUTLIER -85.97 -10.63 54.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.012 174.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.7 OUTLIER -59.56 -34.0 72.13 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 169.036 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.656 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -63.2 -36.37 83.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.973 177.273 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.0 -34.16 77.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.396 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.543 ' CD1' HG21 ' A' ' 96' ' ' THR . 1.6 t80 -66.18 -44.19 84.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 175.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -77.05 -4.39 44.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.866 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.63 -17.91 14.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.04 0.448 . . . . 0.0 111.075 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.476 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -105.09 -41.57 5.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.664 179.21 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -72.3 -13.32 61.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.796 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -74.44 -54.85 2.98 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.584 -176.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 16.2 Cg_exo -67.01 -29.02 41.1 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.61 1.54 . . . . 0.0 110.773 174.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.552 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.4 t80 -65.13 -44.98 86.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.408 177.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -70.74 -27.64 64.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.408 0.623 . . . . 0.0 109.787 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.63 -39.0 77.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.937 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -68.17 -50.07 56.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.315 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.552 ' HG3' ' O ' ' A' ' 24' ' ' PHE . 6.3 mtt -50.26 -45.54 54.34 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.682 0.614 . . . . 0.0 111.581 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -62.56 -56.7 15.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.697 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -63.37 -33.16 74.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.683 -175.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . -73.12 -53.65 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 110.997 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.407 ' HE2' ' HB2' ' A' ' 109' ' ' LYS . 9.9 ttm -64.48 -31.9 73.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.144 -177.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.6 -38.63 80.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.53 -32.25 69.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.48 0.657 . . . . 0.0 110.007 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -77.18 -29.18 54.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.996 -177.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.39 -37.7 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.795 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -85.34 176.07 8.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.382 0.611 . . . . 0.0 111.81 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -101.43 160.35 14.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.444 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -119.43 123.77 44.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.758 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.4 tp -87.98 129.83 38.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.241 0.543 . . . . 0.0 110.304 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.513 HG12 HD23 ' A' ' 50' ' ' LEU . 11.1 m -126.74 160.14 35.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.43 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -119.4 -48.25 2.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.7 p -125.15 173.8 8.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.233 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.786 HG22 ' HB3' ' A' ' 128' ' ' GLN . 0.5 OUTLIER -69.21 -23.22 26.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.847 179.427 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.501 ' N ' HG13 ' A' ' 44' ' ' ILE . 13.3 mt-10 -60.36 -38.69 84.65 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.806 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.18 -18.74 33.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.524 ' HB ' ' HA ' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -63.67 -45.53 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.755 176.63 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -74.51 -25.53 59.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.332 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.08 -40.57 56.29 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.513 HD23 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -64.15 -41.93 96.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.148 0.499 . . . . 0.0 110.311 176.019 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.486 HG12 HD22 ' A' ' 121' ' ' LEU . 29.7 mt -67.33 -33.33 61.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.723 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.5 m -61.63 -29.18 69.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.681 175.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.62 -15.63 63.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.269 0.557 . . . . 0.0 110.831 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.524 ' HE1' HD11 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -101.38 -13.08 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.484 174.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -84.36 -45.49 12.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.17 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -22.52 67.01 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.521 0.677 . . . . 0.0 109.483 172.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 67.7 t80 -62.38 -33.94 75.73 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.968 175.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.667 ' HE3' HD12 ' A' ' 61' ' ' LEU . 8.3 mmmm -79.39 -6.62 57.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.547 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -94.05 -33.13 13.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.833 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -39.68 56.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.667 HD12 ' HE3' ' A' ' 58' ' ' LYS . 2.5 mt -47.21 -55.75 14.71 Favored Pre-proline 0 N--CA 1.47 0.531 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -175.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.4 Cg_endo -52.71 -38.48 77.06 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.474 2.116 . . . . 0.0 112.997 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.62 -28.93 17.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.884 0.374 . . . . 0.0 110.737 -176.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.68 -37.48 76.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.219 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 4.9 t70 -64.32 -44.47 91.47 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 174.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -41.11 89.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.117 176.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -51.51 62.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.016 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -61.52 -35.86 78.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.727 0.298 . . . . 0.0 110.981 -178.743 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -71.81 -37.28 70.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 0.0 110.383 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.66 -14.26 59.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.9 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.476 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -87.8 -37.7 11.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.361 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -66.5 -27.98 68.21 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.239 171.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.1 -40.43 82.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.777 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.3 mt -66.87 -43.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.335 0.588 . . . . 0.0 110.271 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.415 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -68.59 -21.38 64.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.71 179.56 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -66.51 -36.08 81.83 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.497 0.665 . . . . 0.0 109.612 175.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.521 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -78.24 -26.52 47.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.088 178.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -102.04 -2.54 29.34 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -43.66 3.64 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.794 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.19 -21.41 65.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.152 -171.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.463 HG21 HG21 ' A' ' 10' ' ' ILE . 2.4 pp -66.16 -33.46 63.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.259 0.552 . . . . 0.0 110.066 176.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.57 -32.47 23.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.02 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.049 179.312 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.656 ' CD2' HD13 ' A' ' 15' ' ' LEU . 20.5 m-30 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 121.158 0.504 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 98' ' ' VAL . 1.5 t -110.63 120.46 42.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.886 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.8 m -55.86 -41.72 74.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -176.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.546 HG22 ' OG1' ' A' ' 96' ' ' THR . 9.3 m -52.79 122.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.904 0.859 . . . . 0.0 113.223 -174.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.547 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -91.56 154.76 44.23 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.902 167.308 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.573 ' HB3' HD21 ' A' ' 72' ' ' LEU . 86.8 Cg_exo -49.15 -40.77 42.16 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.987 2.458 . . . . 0.0 112.984 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -69.16 -39.06 79.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.852 0.358 . . . . 0.0 110.576 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.542 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -63.78 -46.62 93.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.18 178.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -33.5 46.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.551 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 t-20 -72.61 -51.04 21.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 110.6 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.2 m -61.63 -35.96 79.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.1 OUTLIER -59.92 -44.28 94.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.598 0.237 . . . . 0.0 110.498 178.484 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -60.88 -41.77 96.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.297 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -63.51 -39.37 94.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 14.1 mmtt -70.5 -36.42 73.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.382 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 114' ' ' VAL . 2.8 t -62.56 -48.54 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -61.97 -40.44 95.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 6.2 pt20 -75.59 -22.39 56.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.892 -175.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -86.62 -10.19 54.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.328 0.585 . . . . 0.0 110.579 178.329 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 110' ' ' VAL . 4.7 t -68.61 -51.33 22.43 Favored Pre-proline 0 N--CA 1.448 -0.528 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.321 -176.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 37.3 Cg_endo -65.89 -23.4 54.86 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 122.121 1.881 . . . . 0.0 112.107 178.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -70.5 -49.7 45.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.716 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -65.25 -36.86 85.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.216 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.449 ' OD1' ' HD2' ' A' ' 54' ' ' HIS . 0.5 OUTLIER -58.37 -35.97 72.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.531 175.475 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -73.99 -41.1 62.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.541 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.82 90.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.41 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.486 HD22 HG12 ' A' ' 51' ' ' ILE . 9.1 mt -66.48 -43.63 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.871 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 125' ' ' GLN . 0.4 OUTLIER -69.7 -36.06 75.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.62 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -45.64 68.52 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.2 177.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.673 ' HA ' ' HG3' ' A' ' 127' ' ' LYS . 0.5 OUTLIER -69.17 -34.51 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.736 -177.448 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 122' ' ' LEU . 3.2 pt20 -66.05 -33.53 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.5 m -78.34 -9.54 59.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.452 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.673 ' HG3' ' HA ' ' A' ' 124' ' ' GLU . 1.5 mmmm -80.55 -14.14 58.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.226 0.536 . . . . 0.0 109.596 170.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.786 ' HB3' HG22 ' A' ' 44' ' ' ILE . 43.7 mm-40 -100.16 -153.48 0.45 Allowed 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.525 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.691 -0.671 . . . . 0.0 110.106 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.195 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.82 75.58 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.367 0.603 . . . . 0.0 109.651 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.54 ' HB ' ' HA ' ' A' ' 78' ' ' ALA . 1.0 OUTLIER -85.29 -10.9 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.813 179.102 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 0.8 OUTLIER -72.0 -27.82 62.99 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 173.382 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -68.03 -33.17 74.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.383 173.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' A' ' 77' ' ' GLU . 14.4 mt -74.19 -32.47 63.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.519 173.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.476 ' CD2' ' HB1' ' A' ' 78' ' ' ALA . 27.7 m170 -59.82 -37.11 78.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.617 174.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.676 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -58.25 -47.49 83.42 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.997 174.702 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -61.87 -34.54 76.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.969 0.414 . . . . 0.0 110.541 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.418 ' CE1' HG23 ' A' ' 98' ' ' VAL . 2.4 t80 -65.2 -44.27 88.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.595 ' HA ' HG21 ' A' ' 96' ' ' THR . . . -72.52 -15.7 61.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.47 -179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -22.04 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.773 0.321 . . . . 0.0 111.437 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -106.1 -36.79 6.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.238 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.55 -20.67 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.785 0.326 . . . . 0.0 110.556 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -72.53 -57.65 3.31 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.868 -175.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.409 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 38.5 Cg_endo -67.86 -24.42 40.16 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.592 1.528 . . . . 0.0 111.422 177.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.549 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -70.34 -42.6 71.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.007 175.755 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -64.83 -34.08 77.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 109.53 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -69.61 -36.95 76.65 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.649 -1.159 . . . . 0.0 109.642 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -70.96 -51.24 26.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.061 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 43.4 mtt -53.24 -47.51 68.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.606 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -45.31 83.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.053 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -69.51 -39.34 77.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.017 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.29 -49.46 60.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.737 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 32.3 ttm -57.63 -44.13 85.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.42 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -59.25 -48.38 81.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.592 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.58 -25.79 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.274 0.559 . . . . 0.0 110.33 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -78.66 -24.11 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.739 -176.259 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -21.09 14.63 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.466 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -61.75 127.02 29.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.956 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.41 91.39 1.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.225 0.536 . . . . 0.0 110.341 179.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -64.52 133.46 52.43 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.525 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 40' ' ' ILE . 3.2 tp -107.52 135.23 46.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 174.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.713 HG21 HG12 ' A' ' 47' ' ' ILE . 7.9 m -121.25 145.4 27.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.049 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -113.44 -47.29 3.01 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.4 p -112.35 170.44 8.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.355 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.602 HG21 ' HG3' ' A' ' 129' ' ' GLN . 0.5 OUTLIER -73.34 -25.6 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.953 0.406 . . . . 0.0 109.953 178.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.495 ' N ' HG13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -51.74 -53.29 41.22 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.391 176.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -28.65 62.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.9 -177.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.713 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -67.83 -37.33 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.989 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -34.86 51.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.62 -32.6 71.07 Favored Glycine 0 N--CA 1.452 -0.291 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -37.51 82.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.027 -0.586 . . . . 0.0 110.544 175.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 47' ' ' ILE . 5.0 mm -66.82 -41.55 87.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.505 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.573 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 1.2 m -59.03 -25.69 63.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.906 178.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.01 2.97 11.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.47 0.653 . . . . 0.0 111.248 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.489 ' HE1' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -116.36 -23.71 8.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.404 167.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.67 -47.26 79.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.066 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -80.41 -17.65 51.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.149 0.499 . . . . 0.0 110.138 176.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.432 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 29.6 t80 -69.11 -42.29 76.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.838 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.712 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -62.13 -22.09 65.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.967 175.816 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -33.01 22.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.156 0.503 . . . . 0.0 110.2 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.66 -19.82 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.3 178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.712 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.9 mt -58.21 -57.43 26.12 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.32 -28.22 78.56 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 121.743 1.629 . . . . 0.0 111.937 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -75.4 -45.3 39.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.617 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.55 -34.07 65.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.654 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.48 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 30.6 t70 -61.55 -37.02 82.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.213 0.53 . . . . 0.0 109.735 175.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -45.06 96.26 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.256 175.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -59.6 -42.68 93.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.663 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.549 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 3.6 ttp85 -58.15 -47.58 82.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.714 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.36 -39.24 94.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 0.0 110.399 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.72 -16.19 61.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.851 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -81.37 -39.85 17.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.126 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.496 HD22 ' O ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -69.7 -23.3 63.41 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.773 171.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -72.22 -33.52 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.075 176.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 71' ' ' ILE . 39.3 mt -70.88 -45.94 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.045 175.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.524 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -69.87 -13.18 62.13 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.152 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -57.78 -48.8 78.65 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.823 0.344 . . . . 0.0 110.545 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.617 ' HB3' HD13 ' A' ' 13' ' ' LEU . 14.5 tp10 -83.95 -27.6 28.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.283 0.563 . . . . 0.0 109.842 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.54 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -85.35 -1.14 56.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.029 -176.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -121.96 -40.43 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.465 177.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -58.81 -29.61 66.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.665 -174.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.494 HG12 HG21 ' A' ' 10' ' ' ILE . 2.6 pp -65.84 -30.76 51.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.185 0.517 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.22 -30.84 22.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.421 0.629 . . . . 0.0 109.651 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.804 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.676 ' HE2' HD22 ' A' ' 15' ' ' LEU . 15.1 m-85 . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.595 HG21 ' HA ' ' A' ' 18' ' ' ALA . 12.3 t -131.43 104.09 6.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.441 0.639 . . . . 0.0 110.753 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.15 72.68 9.2 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.289 -0.882 . . . . 0.0 111.531 -177.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.418 HG23 ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -121.64 116.78 50.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.707 177.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.612 ' H ' HD12 ' A' ' 102' ' ' ILE . 64.3 p -77.12 157.85 80.62 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.049 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 45.2 Cg_exo -58.14 -22.78 58.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.536 2.158 . . . . 0.0 111.112 175.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -80.93 -40.66 24.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.198 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.612 HD12 ' H ' ' A' ' 99' ' ' THR . 16.5 mt -59.36 -51.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.045 176.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 tp -65.31 -33.51 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.879 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 m-20 -79.16 -49.19 12.97 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.288 -0.257 . . . . 0.0 111.0 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.3 m -62.71 -34.55 77.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.426 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -65.16 -42.13 94.01 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.586 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.0 t-105 -61.34 -44.42 97.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.019 175.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -41.65 86.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.718 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.439 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 8.0 tttt -67.44 -37.65 83.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.793 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 114' ' ' VAL . 3.0 t -63.9 -48.87 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.227 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 6.2 mm100 -60.01 -43.68 95.06 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.041 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 1.7 pt20 -73.83 -10.93 60.17 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.21 -8.45 29.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.443 0.64 . . . . 0.0 110.198 176.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.638 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 16.2 t -68.82 -54.73 12.29 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.973 -177.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.638 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 21.8 Cg_exo -66.41 -24.95 49.19 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 122.184 1.922 . . . . 0.0 111.68 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -65.13 -49.09 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.809 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.746 ' HE ' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -65.84 -38.28 88.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.276 176.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.577 ' HA ' HD12 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -62.48 -29.77 70.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.123 0.487 . . . . 0.0 110.495 177.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -74.43 -42.4 59.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.656 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.45 87.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.471 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.746 HD11 ' HE ' ' A' ' 117' ' ' ARG . 15.9 mt -64.71 -42.64 95.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.552 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.627 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -61.79 -42.86 99.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -47.59 84.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.101 0.477 . . . . 0.0 110.555 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.444 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.57 -39.49 80.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.433 -176.527 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.627 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -71.26 -25.08 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.818 0.342 . . . . 0.0 110.657 179.194 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.7 m -78.8 -17.4 55.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.982 0.42 . . . . 0.0 110.565 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.46 -9.82 59.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.105 0.479 . . . . 0.0 110.216 176.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.448 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 17.8 mm-40 -104.33 -138.93 0.36 Allowed 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.546 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.602 ' HG3' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.632 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.616 ' HA ' ' HB2' ' A' ' 11' ' ' ASP . 2.6 tt0 . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.587 0.232 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.75 -39.35 76.8 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.527 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.5 pp -85.47 -12.09 11.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.469 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.616 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 0.9 OUTLIER -70.48 -26.96 63.86 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 173.373 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -67.7 -33.79 75.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.37 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.733 HD12 ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -80.27 -24.33 40.15 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 174.348 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 8.9 m170 -58.98 -32.84 70.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.935 175.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.643 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -61.91 -41.39 97.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.611 175.199 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.41 -33.56 75.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.698 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -66.61 -42.0 87.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 -19.23 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.6 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -16.33 23.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.788 0.328 . . . . 0.0 111.305 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.462 ' HB3' HD11 ' A' ' 71' ' ' ILE . 15.9 mtt180 -107.45 -39.65 5.58 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.577 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.0 -19.56 64.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.701 0.286 . . . . 0.0 110.621 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -58.39 6.06 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.554 -177.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.67 -26.63 45.79 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.565 1.51 . . . . 0.0 111.593 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -69.13 -40.93 77.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.281 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -69.73 -29.6 67.02 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.523 0.678 . . . . 0.0 109.832 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -72.36 -37.87 68.7 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.496 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -67.55 -50.92 56.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.882 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.699 ' HE1' HG13 ' A' ' 103' ' ' ILE . 37.8 mtm -57.43 -40.42 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.862 -177.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -64.91 -48.7 73.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.118 179.802 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.0 m -68.45 -38.61 81.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.67 0.271 . . . . 0.0 111.258 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.69 -50.79 55.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.0 110.74 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.571 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 15.1 ttm -63.73 -27.06 68.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.602 178.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 1.1 tt0 -64.52 -45.74 85.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.177 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -69.76 -47.91 61.24 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.532 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.21 -28.35 69.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.304 -173.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.571 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -80.03 -33.57 39.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.411 . . . . 0.0 111.414 177.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.13 151.32 23.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.272 0.558 . . . . 0.0 111.836 -173.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.9 121.18 32.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.833 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -70.64 136.21 48.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.983 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.4 tp -109.27 133.81 53.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.834 173.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.467 HG21 HG12 ' A' ' 47' ' ' ILE . 12.1 m -126.82 150.64 32.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.168 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -112.69 -48.66 2.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.13 0.49 . . . . 0.0 109.797 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.1 p -109.55 168.85 9.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.273 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.443 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -71.41 -31.79 44.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.174 0.512 . . . . 0.0 110.323 178.629 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.86 -41.54 61.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.141 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.13 -34.34 72.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.613 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.72 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -64.5 -40.28 88.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.66 -36.19 82.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.165 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.5 -40.07 40.21 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -55.22 -46.91 75.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.011 -0.595 . . . . 0.0 111.073 175.232 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.72 HG12 ' O ' ' A' ' 47' ' ' ILE . 8.5 mm -63.22 -48.04 89.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.275 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.0 m -58.94 -39.25 81.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.46 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.15 93.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.792 0.329 . . . . 0.0 110.99 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.44 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 4.5 t60 -76.85 -31.47 56.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.334 177.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.5 -52.6 51.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.997 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.93 -20.36 64.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.552 0.692 . . . . 0.0 109.996 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.45 ' HD1' ' HD2' ' A' ' 58' ' ' LYS . 14.7 t80 -67.5 -40.09 85.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.666 175.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' HD2' ' HD1' ' A' ' 57' ' ' PHE . 11.9 mmmm -65.63 -17.59 64.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.959 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' HD2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -90.49 -30.88 17.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.079 178.147 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -74.87 -24.29 58.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.533 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.506 ' HB2' ' HD3' ' A' ' 62' ' ' PRO . 1.8 mt -56.69 -57.23 25.13 Favored Pre-proline 0 C--O 1.221 -0.42 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.138 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 51.1 Cg_exo -56.34 -34.14 93.31 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.966 1.777 . . . . 0.0 112.235 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -67.03 -54.61 19.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.213 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.39 -27.34 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.253 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 34.2 t70 -68.97 -27.97 66.2 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.273 0.559 . . . . 0.0 110.285 177.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -28.18 40.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.061 0.457 . . . . 0.0 109.905 173.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.43 ' OE1' ' HD3' ' A' ' 20' ' ' ARG . 5.6 mm-40 -68.89 -43.53 75.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.207 178.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 6.2 ptm180 -59.42 -35.26 73.65 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 120.813 0.34 . . . . 0.0 110.486 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -73.98 -37.91 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.293 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.15 -22.63 62.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.195 0.522 . . . . 0.0 110.885 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.462 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -82.71 -39.06 15.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -69.24 -26.73 64.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.372 174.239 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.83 78.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.52 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 71' ' ' ILE . 19.4 mt -65.62 -47.89 84.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.517 0.675 . . . . 0.0 109.791 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -67.81 -16.84 64.3 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.906 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -37.29 82.4 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 122.17 -0.331 . . . . 0.0 110.801 -177.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.38 -29.38 16.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.341 0.591 . . . . 0.0 109.873 177.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.733 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -92.92 -0.34 57.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.715 -173.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.6 OUTLIER -119.33 -43.4 2.62 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.282 176.286 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.7 OUTLIER -56.9 -28.83 62.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.173 -175.039 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.467 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 2.5 pp -63.51 -33.58 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.191 0.519 . . . . 0.0 110.637 178.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.61 -7.96 56.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.14 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.176 177.584 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.643 ' HE2' HD22 ' A' ' 15' ' ' LEU . 23.2 m-85 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.714 0.292 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.4 t -96.72 147.19 24.17 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.25 61.45 1.72 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.827 0.823 . . . . 0.0 111.76 -176.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.3 m -134.7 153.45 35.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.326 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.8 p -124.44 166.62 18.76 Favored Pre-proline 0 C--N 1.316 -0.854 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.604 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 49.5 Cg_exo -57.42 -24.86 63.05 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.25 1.967 . . . . 0.0 111.531 173.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -79.15 -48.26 14.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.055 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 mt -57.12 -44.41 83.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.113 0.482 . . . . 0.0 110.569 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.699 HG13 ' HE1' ' A' ' 28' ' ' MET . 0.2 OUTLIER -69.27 -35.33 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.453 -179.73 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.604 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 t-20 -77.04 -49.54 15.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.203 -177.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.6 p -54.61 -40.46 68.91 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.785 0.326 . . . . 0.0 111.223 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -66.91 -47.55 71.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.991 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -57.92 -42.21 84.32 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.989 0.424 . . . . 0.0 110.283 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.1 -46.35 90.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.682 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -62.73 -37.08 85.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.415 179.267 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 114' ' ' VAL . 3.0 t -62.74 -48.81 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.188 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.42 ' NE2' HD13 ' A' ' 61' ' ' LEU . 13.0 mm-40 -61.28 -42.2 98.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.695 -177.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.5 pt20 -74.52 -21.91 59.3 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 mt -88.08 -10.52 49.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.342 0.591 . . . . 0.0 110.561 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 110' ' ' VAL . 16.3 t -68.31 -52.18 22.34 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.716 -175.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.522 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 34.9 Cg_exo -61.1 -35.48 86.42 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.307 2.004 . . . . 0.0 112.206 178.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -62.9 -47.75 81.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 110.307 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -65.41 -36.68 84.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.565 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.55 -30.56 71.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.238 0.542 . . . . 0.0 110.352 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -78.81 -44.84 22.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.41 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.688 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.625 HD22 HD13 ' A' ' 51' ' ' ILE . 30.3 mt -61.61 -49.97 74.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.654 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.706 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 9.5 mt -61.36 -45.65 93.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.76 -42.2 92.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.235 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.96 -35.46 43.07 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.659 0.266 . . . . 0.0 111.587 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.706 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.1 OUTLIER -69.98 -25.82 63.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.737 0.303 . . . . 0.0 110.739 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.5 m -73.95 -11.08 60.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.856 0.36 . . . . 0.0 110.754 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -93.47 -5.23 49.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.926 0.394 . . . . 0.0 110.453 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -88.77 -128.72 0.07 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.495 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.254 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 C--O 1.234 0.238 0 CA-C-O 120.978 0.418 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.94 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.216 0.531 . . . . 0.0 109.906 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.431 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.3 pp -77.87 -11.55 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.411 178.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.0 OUTLIER -70.74 -26.37 63.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -73.58 -27.15 61.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.328 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.474 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . 50.4 mt -72.58 -36.26 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 170.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 41.1 m170 -59.49 -38.15 80.11 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.647 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.637 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.78 -46.86 86.55 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.745 173.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -66.56 -31.03 71.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.044 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.606 ' HB3' HG21 ' A' ' 96' ' ' THR . 1.6 t80 -71.73 -45.15 62.68 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.21 -24.81 63.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.751 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -34.33 48.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.858 0.361 . . . . 0.0 110.598 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.38 -38.16 16.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.647 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.14 -18.95 64.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.634 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -65.17 -59.54 9.69 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.933 -177.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 56.7 Cg_endo -71.45 -27.45 19.08 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.435 1.423 . . . . 0.0 111.893 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.46 ' HE1' ' HB1' ' A' ' 64' ' ' ALA . 0.8 OUTLIER -65.38 -43.99 88.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.008 177.662 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -71.09 -28.31 64.24 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.003 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -66.78 -40.63 88.24 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.608 0.718 . . . . 0.0 109.17 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -65.65 -48.3 72.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.807 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.506 ' HE2' ' HB2' ' A' ' 107' ' ' TRP . 26.4 mtt -62.52 -16.73 57.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.599 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' OE1' ' HA ' ' A' ' 29' ' ' GLU . 4.9 mm-40 -85.12 -65.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.569 0.223 . . . . 0.0 110.501 175.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.9 m -61.78 -43.22 99.28 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.34 74.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 111.084 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' A' ' 109' ' ' LYS . 16.6 ttm -64.52 -36.44 84.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.602 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -67.39 -37.7 83.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.34 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.25 -34.3 49.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.227 0.537 . . . . 0.0 110.608 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 113' ' ' LEU . 2.1 mp -70.08 -38.17 75.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.814 -178.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -38.99 72.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.855 -178.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.09 143.85 47.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.833 0.349 . . . . 0.0 111.555 -173.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.3 tpt -70.12 127.62 33.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.903 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -85.89 134.65 33.88 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.189 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.3 tp -104.54 127.2 59.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 121.647 0.737 . . . . 0.0 110.028 176.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.581 HG21 HD12 ' A' ' 47' ' ' ILE . 33.4 m -126.78 148.8 31.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.509 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -124.34 -40.74 2.22 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.902 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 p -113.04 166.53 11.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.479 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.485 HD12 HG22 ' A' ' 47' ' ' ILE . 3.3 tp -65.31 -39.55 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.672 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.18 -38.64 77.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.062 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.6 -52.0 65.11 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.478 0.18 . . . . 0.0 110.879 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.691 HD11 ' HB3' ' A' ' 124' ' ' GLU . 1.8 tt -68.01 -29.38 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-O 120.822 0.344 . . . . 0.0 110.146 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -27.63 63.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.82 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.92 -35.68 11.06 Favored Glycine 0 CA--C 1.506 -0.505 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -48.87 -46.52 42.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.832 -0.684 . . . . 0.0 111.3 172.403 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.8 mm -66.49 -36.35 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.204 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.13 -31.25 72.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.004 0.431 . . . . 0.0 110.769 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.71 -24.5 66.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.897 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.43 ' HD2' ' OD1' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -91.17 -28.07 18.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.222 176.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.1 -50.08 69.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.392 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -71.38 -18.76 62.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.902 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -66.57 -36.07 81.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.127 0.489 . . . . 0.0 110.103 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.551 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.37 -12.76 61.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.977 177.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.72 -26.63 13.1 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.88 -28.9 29.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.4 . . . . 0.0 110.559 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 61' ' ' LEU . 4.2 mt -55.75 -58.13 17.55 Favored Pre-proline 0 C--O 1.221 -0.403 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.098 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 12.4 Cg_endo -55.96 -34.06 90.94 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.193 1.928 . . . . 0.0 112.744 -177.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.54 -48.73 59.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.059 0.457 . . . . 0.0 110.326 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.46 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -72.05 -31.92 66.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.694 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.4 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 14.8 t70 -64.02 -43.29 96.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.741 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.56 -31.06 72.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.215 0.531 . . . . 0.0 110.285 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -70.38 -32.92 70.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.241 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -63.6 -33.68 76.15 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.955 0.407 . . . . 0.0 110.252 178.371 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -35.7 65.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.851 176.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.47 -13.19 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.54 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -92.0 -37.41 8.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 72' ' ' LEU . 9.0 mt -70.92 -23.67 62.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.497 175.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.74 -18.05 65.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.186 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 71' ' ' ILE . 11.9 mt -86.91 -36.93 10.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.708 0.766 . . . . 0.0 109.929 175.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.519 ' CE1' ' HG2' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -71.67 -30.62 65.92 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.798 -174.228 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -62.3 -32.17 72.88 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.013 -176.647 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.485 ' N ' ' HD3' ' A' ' 76' ' ' LYS . 4.3 tp10 -89.24 -31.41 17.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.177 0.513 . . . . 0.0 110.469 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 13' ' ' LEU . . . -95.31 4.8 53.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -175.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -122.91 -51.15 1.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 177.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 ptt-85 -56.88 -29.78 63.26 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.494 0.497 . . . . 0.0 111.119 -173.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 82' ' ' ALA . 1.9 pp -56.05 -44.37 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.018 0.437 . . . . 0.0 110.163 177.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.405 ' N ' HD12 ' A' ' 81' ' ' ILE . . . -76.81 -34.78 57.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.482 -176.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.32 -0.676 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.6 178.18 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.637 ' CD2' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.606 HG21 ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -77.32 74.15 3.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.624 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 m -61.08 -37.17 81.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.763 0.792 . . . . 0.0 109.737 171.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.524 HG13 HG22 ' A' ' 96' ' ' THR . 0.4 OUTLIER -59.44 106.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.37 -1.286 . . . . 0.0 111.109 175.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.693 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -90.33 163.28 31.8 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.11 176.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.693 ' HD2' HG22 ' A' ' 99' ' ' THR . 81.8 Cg_exo -49.09 -37.49 38.27 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.238 2.625 . . . . 0.0 112.834 177.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -72.9 -35.29 67.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.189 -177.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.558 HD12 ' OG1' ' A' ' 99' ' ' THR . 3.5 mt -63.83 -47.38 91.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -33.51 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.372 -178.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -76.41 -42.81 42.93 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.039 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.6 p -61.47 -39.78 92.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.808 0.337 . . . . 0.0 110.724 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -63.14 -46.72 85.92 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.58 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.506 ' HB2' ' HE2' ' A' ' 28' ' ' MET . 70.7 t-105 -61.79 -42.55 99.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.397 176.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -62.57 -41.76 99.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.323 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.418 ' HB3' ' CE ' ' A' ' 32' ' ' MET . 0.1 OUTLIER -60.54 -40.96 93.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.471 176.457 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.38 -43.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.377 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -60.63 -44.25 96.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.511 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.51 -11.98 59.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.488 ' HB3' HD23 ' A' ' 35' ' ' LEU . 3.3 mt -85.89 -15.97 40.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.909 0.385 . . . . 0.0 110.331 178.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.458 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 57.7 t -62.79 -57.82 19.82 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.108 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.458 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 24.6 Cg_endo -63.31 -31.86 73.18 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.171 1.914 . . . . 0.0 112.12 178.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -51.88 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.368 0.604 . . . . 0.0 110.414 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -70.47 -33.99 71.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.557 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.43 ' OD1' ' HD2' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -62.76 -34.3 76.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.274 0.559 . . . . 0.0 109.919 178.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -72.34 -44.71 62.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.996 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.45 87.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.032 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.486 HD22 HD13 ' A' ' 51' ' ' ILE . 38.9 mt -70.82 -50.26 37.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.368 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -77.73 0.39 23.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.844 -175.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.09 -14.13 16.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.144 0.497 . . . . 0.0 109.757 172.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.691 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -102.84 -48.23 4.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.357 -174.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.545 ' HA ' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -67.79 -20.11 65.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.719 -174.553 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.44 -20.26 58.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.856 0.36 . . . . 0.0 110.784 178.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 5.47 50.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.01 0.434 . . . . 0.0 110.405 178.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.542 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 4.0 mm-40 -84.56 -130.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.31 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.542 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 1.2 pt20 . . . . . 0 C--O 1.247 0.922 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--O 1.233 0.222 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.41 -34.35 67.79 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.594 -176.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 81' ' ' ILE . 1.1 pp -87.63 -16.04 9.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.254 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 5.7 t70 -73.23 -27.42 61.59 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.04 176.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -74.31 -7.83 54.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.905 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -113.33 -5.51 13.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 170.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -61.92 -39.91 93.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.832 177.557 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.735 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.55 -21.47 61.88 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.32 -176.616 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.84 -40.31 87.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.908 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER -62.64 -47.46 83.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.223 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.53 -24.58 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.647 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -83.23 -26.84 30.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.596 0.236 . . . . 0.0 111.045 179.231 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.555 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -91.96 -36.95 13.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.882 0.372 . . . . 0.0 110.782 -179.315 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.46 -22.73 64.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.368 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.479 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -64.04 -59.62 10.79 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.112 -175.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.479 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 47.5 Cg_endo -69.57 -29.51 24.64 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.576 1.517 . . . . 0.0 111.677 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.499 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 3.4 t80 -65.83 -42.32 90.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.683 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.46 -26.13 60.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.317 0.58 . . . . 0.0 109.945 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -74.82 -38.1 62.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.373 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -66.72 -47.63 71.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.867 177.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 6.2 mtm -60.88 -36.13 78.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.932 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 21.1 mm-40 -61.0 -55.46 32.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.676 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -39.53 90.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.49 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.267 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.526 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 15.1 ttm -68.31 -25.49 65.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.444 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -68.09 -44.56 75.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.196 177.807 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.88 -46.77 70.74 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.649 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.98 -27.94 69.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.201 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -69.74 -32.18 70.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.009 178.7 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -78.59 -176.63 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.115 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.28 144.58 49.9 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.513 177.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -100.45 135.41 41.93 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.282 0.563 . . . . 0.0 111.087 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.0 tp -120.26 137.38 54.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.486 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.875 HG21 HG12 ' A' ' 47' ' ' ILE . 8.8 m -126.72 151.51 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -104.67 -59.84 1.68 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.174 0.512 . . . . 0.0 109.714 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.581 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -105.49 172.5 6.76 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.113 -177.102 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.551 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -69.75 -31.14 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 110.85 -175.331 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.581 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 1.5 mp0 -62.08 -34.55 76.5 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 177.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -73.39 -36.19 66.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.282 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.875 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -65.24 -39.55 85.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.162 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -74.27 -30.97 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.375 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.03 -37.82 87.92 Favored Glycine 0 CA--C 1.505 -0.559 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.526 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -62.07 -48.93 78.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.724 -0.738 . . . . 0.0 110.593 172.237 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.768 HG12 ' O ' ' A' ' 47' ' ' ILE . 19.4 mm -56.22 -51.22 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.67 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 m -54.78 -37.42 65.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.36 66.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.24 0.543 . . . . 0.0 111.208 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 6.7 t60 -91.42 -29.58 16.98 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.803 175.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -62.41 -49.12 76.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.627 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -71.98 -21.56 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.261 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.508 ' HE2' HG22 ' A' ' 114' ' ' VAL . 45.8 t80 -65.62 -35.3 80.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.731 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 1.5 mmmm -70.85 -18.95 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.498 0.665 . . . . 0.0 109.827 178.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 m -87.82 -33.26 18.67 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.542 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -21.19 54.92 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.641 0.258 . . . . 0.0 111.407 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.618 ' HB2' ' HD3' ' A' ' 62' ' ' PRO . 2.6 mt -54.46 -57.87 16.68 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.081 -177.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.618 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 49.0 Cg_exo -56.27 -35.38 95.63 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.205 1.937 . . . . 0.0 112.884 -177.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -69.65 -54.42 14.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.122 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.407 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -67.24 -33.51 75.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.045 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.539 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 22.2 t70 -61.37 -47.14 87.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.427 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 4.2 mmm180 -65.23 -33.1 75.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.442 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -60.85 -43.88 97.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.528 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.499 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -59.37 -37.29 77.55 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.966 0.413 . . . . 0.0 110.536 179.524 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.65 -43.14 66.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.361 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.01 -19.16 65.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.147 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.555 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -84.23 -40.04 15.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -179.267 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.41 -22.49 61.85 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.417 175.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.01 -44.48 80.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.414 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 71' ' ' ILE . 13.0 mt -62.22 -42.4 95.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.542 0.687 . . . . 0.0 109.879 175.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.549 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -66.19 -24.86 66.7 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.85 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.499 ' HA ' ' HD3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -61.64 -44.43 96.98 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.334 178.311 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -83.18 -23.56 32.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -177.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.515 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -103.0 6.44 38.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.291 -176.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -124.34 -42.28 2.12 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.593 175.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.569 ' HA ' ' HB2' ' A' ' 83' ' ' GLU . 20.8 ptt85 -59.93 -22.03 61.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 -176.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 10' ' ' ILE . 2.1 pp -65.2 -34.43 70.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-O 121.156 0.503 . . . . 0.0 110.578 176.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.42 -19.46 26.51 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.659 0.742 . . . . 0.0 109.659 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 80' ' ' ARG . 88.6 mt-10 . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.262 176.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.408 ' CE2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.32 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.84 70.16 10.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.753 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.03 47.52 1.51 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.393 1.092 . . . . 0.0 110.14 175.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.81 111.9 12.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.508 -176.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.589 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -80.85 148.99 66.36 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.676 -179.115 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.589 ' HD2' HG22 ' A' ' 99' ' ' THR . 10.7 Cg_endo -54.81 -39.2 91.01 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.821 2.347 . . . . 0.0 112.281 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -65.02 -36.99 86.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.347 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.1 mp -64.3 -33.03 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.988 -176.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -93.89 -34.82 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 120.73 0.3 . . . . 0.0 111.644 -178.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -76.91 -43.43 35.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.675 0.274 . . . . 0.0 111.375 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 m -74.91 -24.46 58.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.571 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 3.4 mttt -68.08 -38.37 82.3 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 174.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.539 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 67.4 t-105 -60.2 -42.15 94.5 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 174.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.59 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.565 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.512 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 18.5 mttm -64.94 -40.64 95.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.076 0.465 . . . . 0.0 109.975 174.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 114' ' ' VAL . 43.0 t -62.86 -48.14 89.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.046 176.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -61.39 -31.67 71.58 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.386 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.4 pt20 -70.58 -23.39 62.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.7 mt -98.3 -8.61 26.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.316 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 110' ' ' VAL . 86.3 t -67.12 -56.32 13.61 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.683 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 21.4 Cg_endo -60.71 -33.43 93.17 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.853 -178.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -63.24 -48.79 76.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.213 0.53 . . . . 0.0 110.308 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.3 tpp85 -74.21 -29.42 61.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.66 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -33.85 76.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.185 0.517 . . . . 0.0 110.041 176.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -88.61 -44.26 10.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.662 -175.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 124' ' ' GLU . . . -61.53 -38.35 87.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.972 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 51' ' ' ILE . 18.4 mt -67.78 -48.25 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.625 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.476 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -58.29 -44.79 88.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.237 178.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -45.25 88.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.682 0.277 . . . . 0.0 110.875 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.542 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.49 -42.4 87.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.554 -178.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.509 ' HB3' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -67.74 -26.23 66.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 110.557 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.6 m -78.83 -16.26 57.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.621 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -87.63 4.47 43.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.32 0.581 . . . . 0.0 110.375 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -106.45 -138.74 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.587 175.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.992 0 CA-C-O 119.001 -0.523 . . . . 0.0 109.763 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.703 0.287 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.29 -36.75 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 110.163 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.446 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.3 pp -79.07 -17.6 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.637 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 7.7 t70 -73.27 -27.6 61.65 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -72.36 -16.58 61.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.105 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -105.39 -6.56 19.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.169 0.509 . . . . 0.0 109.737 171.687 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.567 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -60.59 -34.43 74.2 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.029 175.528 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.88 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.47 -26.55 46.1 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.753 -179.698 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.9 mm-40 -63.44 -39.02 93.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.939 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -57.98 -51.16 70.81 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 172.773 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.58 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.717 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -34.89 43.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.454 179.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -87.1 -37.11 17.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 111.299 -179.376 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB3' HG21 ' A' ' 98' ' ' VAL . . . -66.91 -20.72 65.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.746 178.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -65.21 -61.18 6.45 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.068 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 44.3 Cg_endo -69.42 -27.02 28.58 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.535 1.49 . . . . 0.0 111.906 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.505 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.0 t80 -67.19 -43.11 82.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.199 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -67.83 -28.61 67.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.446 0.641 . . . . 0.0 109.664 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.95 -37.33 78.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.913 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -65.91 -47.85 73.41 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.319 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 24' ' ' PHE . 33.3 mtt -55.36 -42.13 73.49 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.907 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -59.24 -58.54 8.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.437 177.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -57.09 -40.63 77.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.303 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.45 -55.0 10.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.334 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.66 ' HE2' HG23 ' A' ' 110' ' ' VAL . 11.1 ttm -62.9 -34.97 78.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.211 -177.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -75.25 -37.07 61.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.38 -179.348 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.82 -42.06 91.04 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 1.2 mp -71.15 -25.06 62.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.648 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -79.17 -40.94 29.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 177.753 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -72.47 168.6 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.3 0.571 . . . . 0.0 111.377 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.24 144.77 29.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.486 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -104.02 113.96 27.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.111 0.482 . . . . 0.0 110.711 -177.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 mm -93.65 127.03 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 121.198 0.523 . . . . 0.0 109.853 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.606 HG21 HG12 ' A' ' 47' ' ' ILE . 28.7 m -120.76 143.05 34.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.008 -176.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -102.28 -44.06 5.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.327 0.584 . . . . 0.0 109.72 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.74 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -126.99 162.44 25.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.787 -177.343 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -67.83 -24.13 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.93 -177.374 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.74 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -54.47 -44.37 72.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.277 0.56 . . . . 0.0 109.729 174.242 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -74.48 -34.44 63.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.471 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.677 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -64.06 -37.84 80.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -31.04 62.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.291 0.567 . . . . 0.0 109.482 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.06 -36.31 64.34 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -59.73 -43.97 93.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.899 -0.651 . . . . 0.0 110.365 174.017 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.677 HG12 ' O ' ' A' ' 47' ' ' ILE . 8.9 mm -61.63 -43.35 96.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.795 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 55' ' ' ASP . 16.5 m -62.12 -27.39 68.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.227 178.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.75 -5.14 38.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.996 0.427 . . . . 0.0 111.068 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -111.81 -31.6 6.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.071 0.462 . . . . 0.0 109.768 171.245 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 52' ' ' SER . 50.9 t0 -65.42 -50.3 65.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.794 176.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.548 ' HA ' ' OG ' ' A' ' 59' ' ' SER . 17.5 mm-40 -76.17 -15.44 60.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.245 0.545 . . . . 0.0 110.275 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 42.5 t80 -73.5 -32.01 64.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.834 173.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.758 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -73.74 -15.96 61.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.434 175.809 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.548 ' OG ' ' HA ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -89.03 -25.19 22.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -32.04 34.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.932 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.758 HD12 ' HE3' ' A' ' 58' ' ' LYS . 3.8 mt -53.02 -51.53 73.98 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -175.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 9.5 Cg_endo -52.46 -36.91 71.75 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.504 2.136 . . . . 0.0 113.473 -178.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -88.72 -34.38 17.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.614 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.7 88.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.664 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.402 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 18.1 t70 -63.35 -38.98 93.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.434 0.635 . . . . 0.0 109.389 175.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 66' ' ' ARG . 10.5 mtp-105 -62.77 -38.76 91.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.313 176.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -60.2 -46.32 90.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.54 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.505 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -59.27 -37.21 77.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.386 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -71.04 -40.84 71.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.525 176.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.79 -15.21 61.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.456 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.472 HG21 HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -89.18 -38.93 11.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' ' 100' ' ' PRO . 2.2 mt -69.92 -28.23 65.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.165 174.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.52 -40.64 92.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.241 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.8 mt -65.42 -36.95 78.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.818 0.818 . . . . 0.0 109.834 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -77.87 -16.49 58.23 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.024 -177.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -61.79 -42.74 99.39 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.746 -175.827 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.28 -26.79 23.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.225 0.536 . . . . 0.0 109.869 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -79.09 -7.37 58.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.328 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -115.46 -30.08 6.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.088 174.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.567 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -60.88 -28.2 68.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.663 0.268 . . . . 0.0 110.801 -176.538 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 pp -64.7 -42.01 93.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.96 0.41 . . . . 0.0 110.33 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.95 -21.4 47.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.413 0.625 . . . . 0.0 110.418 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.61 176.732 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.493 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.447 0 CA-C-O 121.546 0.688 . . . . 0.0 109.367 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.42 72.32 7.29 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.21 -0.905 . . . . 0.0 112.289 -177.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.6 m -67.34 -36.43 81.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.807 0.813 . . . . 0.0 109.49 170.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -63.32 123.53 16.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.241 176.226 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.41 ' H ' HD12 ' A' ' 102' ' ' ILE . 57.2 p -102.07 166.86 11.37 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.195 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.583 ' HB3' HD21 ' A' ' 72' ' ' LEU . 32.8 Cg_exo -60.41 -32.43 93.87 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.415 2.076 . . . . 0.0 111.171 172.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -43.69 69.97 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.66 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.473 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 3.6 mt -56.28 -51.66 60.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.387 177.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.472 HD13 HG21 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -72.11 -37.52 60.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.629 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 7.5 t30 -76.76 -49.35 16.16 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.092 -0.38 . . . . 0.0 111.578 -176.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.2 m -68.79 -30.26 68.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.3 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 17.9 mtpt -71.41 -34.26 70.18 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.305 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.402 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 60.2 t-105 -62.59 -45.63 92.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.092 0.472 . . . . 0.0 109.947 175.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.37 -33.11 75.19 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.343 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.72 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -68.04 -37.39 81.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.5 175.113 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.66 HG23 ' HE2' ' A' ' 32' ' ' MET . 2.2 t -63.82 -48.94 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.738 177.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.556 HE22 HD13 ' A' ' 61' ' ' LEU . 36.0 mm-40 -61.9 -37.56 85.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.223 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.72 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -76.37 -5.79 48.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.813 -178.093 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 109' ' ' LYS . 7.1 mt -102.41 -7.54 21.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.443 0.64 . . . . 0.0 110.28 176.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.603 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 69.6 t -71.91 -52.64 7.59 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.587 -175.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.603 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 40.6 Cg_exo -57.8 -46.83 23.92 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.554 2.169 . . . . 0.0 113.353 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -58.21 -37.1 74.14 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.971 0.415 . . . . 0.0 111.036 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.89 -39.22 56.84 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.224 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -30.82 70.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.22 0.533 . . . . 0.0 110.245 177.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -79.82 -44.15 21.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.134 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.25 83.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.813 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.431 HD22 HD13 ' A' ' 51' ' ' ILE . 31.7 mt -62.47 -47.24 84.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.295 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.709 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -63.03 -36.81 84.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.945 177.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -58.17 -48.7 79.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 110.586 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.672 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -72.26 -41.88 66.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.875 -177.221 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.709 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.4 pt20 -62.28 -28.08 69.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.695 0.284 . . . . 0.0 111.119 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 m -92.67 -4.62 52.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.207 0.527 . . . . 0.0 110.533 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -98.56 -0.16 43.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.161 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 124' ' ' GLU . 90.0 mm-40 -86.57 -134.54 0.07 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.72 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.096 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.129 0.49 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.8 82.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.93 -178.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.453 ' HB ' ' HA ' ' A' ' 78' ' ' ALA . 1.5 pp -84.41 -6.56 10.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.18 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.451 ' O ' ' HE2' ' A' ' 95' ' ' TYR . 1.5 t0 -87.95 -22.91 24.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.112 0.482 . . . . 0.0 110.171 175.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.559 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 96.7 mm-40 -89.97 -16.41 29.94 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 175.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.722 HD23 ' HB2' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -77.01 -41.37 43.01 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 112.846 -1.979 . . . . 0.0 108.501 167.446 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.555 ' CD2' ' HB1' ' A' ' 78' ' ' ALA . 12.5 m170 -55.37 -32.18 62.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.723 171.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' HE2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.76 -45.59 78.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.257 -179.13 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -30.94 69.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.327 -179.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.486 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.2 t80 -69.65 -46.81 65.3 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.43 -11.58 60.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.217 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.641 ' HE2' HD13 ' A' ' 15' ' ' LEU . 1.6 mptp? -90.18 -31.19 17.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.831 176.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.773 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -94.89 -42.48 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.706 0.289 . . . . 0.0 111.675 -177.584 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -70.75 -15.15 62.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.95 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -74.48 -55.68 2.65 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.165 -175.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 15.1 Cg_exo -69.47 -26.81 28.57 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.76 1.64 . . . . 0.0 111.474 175.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.691 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.3 t80 -68.75 -41.91 78.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.424 177.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 64.1 t30 -69.81 -30.68 68.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.384 0.611 . . . . 0.0 109.5 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -71.99 -37.48 69.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.359 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -63.68 -45.48 89.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.604 175.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 56.7 mtt -62.77 -39.03 92.93 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.537 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 7.9 mm-40 -60.21 -48.27 82.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 177.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.0 m -62.15 -45.12 94.86 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.481 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.77 -49.52 65.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.8 ttm -63.51 -30.57 71.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 -177.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -85.27 -40.18 16.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.331 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.78 -45.83 91.06 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.599 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 5.8 mp -71.26 -23.22 61.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.034 -175.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -24.08 21.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.388 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.77 155.72 32.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.375 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.0 ttm -94.4 136.74 34.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.734 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 121' ' ' LEU . 32.3 p90 -101.98 135.93 42.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.209 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 40' ' ' ILE . 5.7 tp -119.23 137.11 54.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 173.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 47' ' ' ILE . 27.8 m -125.75 156.59 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.975 -175.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -115.17 -39.17 3.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.239 0.542 . . . . 0.0 109.829 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.557 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -130.46 172.11 12.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.688 -176.28 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -76.4 -25.63 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.108 0.48 . . . . 0.0 110.122 -179.178 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.557 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 3.0 mp0 -56.97 -47.16 81.42 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.548 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -77.57 -25.56 50.12 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.084 178.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.776 HG13 ' HG3' ' A' ' 128' ' ' GLN . 0.1 OUTLIER -65.07 -38.37 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.443 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -74.58 -29.64 61.41 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.479 ' N ' ' HG3' ' A' ' 48' ' ' GLU . . . -72.74 -38.59 56.72 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -53.06 -45.96 68.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.811 -0.695 . . . . 0.0 110.785 174.215 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.634 HG13 HE21 ' A' ' 125' ' ' GLN . 2.1 mm -68.88 -45.75 80.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.8 m -58.09 -40.24 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.522 0.201 . . . . 0.0 111.236 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -32.16 72.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 0.0 111.167 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -83.48 -34.43 25.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.344 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -67.11 -45.61 76.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.857 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -25.64 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.153 0.502 . . . . 0.0 109.827 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.543 ' HE2' HG22 ' A' ' 114' ' ' VAL . 58.6 t80 -69.15 -38.22 78.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.36 176.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.482 ' HE2' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -60.41 -26.32 66.6 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.238 174.056 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.61 -23.94 19.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 m -78.98 -20.73 48.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.096 0.474 . . . . 0.0 110.536 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.482 HD12 ' HE2' ' A' ' 58' ' ' LYS . 3.9 mt -58.33 -56.84 31.07 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.335 -177.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.2 Cg_endo -54.01 -33.34 72.55 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.062 1.841 . . . . 0.0 113.061 -177.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.84 -47.4 38.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.035 0.445 . . . . 0.0 110.567 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.72 -30.63 70.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.641 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 11.3 t0 -59.34 -44.74 92.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.302 177.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -36.17 83.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.792 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' OE1' ' HD3' ' A' ' 20' ' ' ARG . 45.5 mm-40 -62.51 -39.8 94.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.498 177.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.691 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -60.57 -41.22 94.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.966 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -36.58 65.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.542 178.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.31 -14.97 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.773 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -86.14 -38.36 12.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.579 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.11 -24.62 65.05 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.301 173.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.75 76.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.547 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 71' ' ' ILE . 7.8 mt -70.89 -43.55 76.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.564 0.697 . . . . 0.0 109.78 174.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -65.45 -18.76 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.918 -179.041 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -59.91 -48.13 82.95 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.732 0.301 . . . . 0.0 110.664 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.513 ' HB2' HD21 ' A' ' 13' ' ' LEU . 61.6 mm-40 -82.03 -26.3 33.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.331 0.586 . . . . 0.0 110.223 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.722 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -87.77 -1.94 58.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.938 -176.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -124.04 -34.07 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.764 177.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -58.35 -26.86 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.026 0.204 . . . . 0.0 111.282 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 pp -61.52 -44.19 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 0.0 110.262 176.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.73 -20.56 46.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.314 0.578 . . . . 0.0 110.313 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 23.0 mt-10 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.625 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.59 ' CE2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.517 -0.326 0 CA-C-O 121.636 0.732 . . . . 0.0 109.126 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.96 72.65 5.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.582 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 m -76.49 -38.19 55.65 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.845 0.831 . . . . 0.0 108.794 171.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.514 HG21 ' HB1' ' A' ' 21' ' ' ALA . 1.4 p -52.86 108.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.282 171.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.715 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -96.34 157.93 34.72 Favored Pre-proline 0 N--CA 1.447 -0.607 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.098 -174.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.715 ' HD2' HG22 ' A' ' 99' ' ' THR . 6.1 Cg_endo -50.35 -42.08 49.09 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.084 2.523 . . . . 0.0 112.706 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -38.24 83.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 0.0 110.517 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.635 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -61.84 -37.37 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.626 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -34.75 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.852 0.358 . . . . 0.0 111.499 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -73.64 -49.03 28.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.791 0.329 . . . . 0.0 111.446 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.8 m -67.78 -33.23 74.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.064 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.8 OUTLIER -64.0 -48.86 74.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.264 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.442 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 61.2 t-105 -55.22 -44.33 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.403 176.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -43.85 87.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.138 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 4.7 mmtt -75.62 -29.0 59.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.665 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.64 -43.27 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.133 0.492 . . . . 0.0 109.823 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.478 ' NE2' HD13 ' A' ' 61' ' ' LEU . 21.9 mm-40 -60.27 -44.02 95.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.734 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -74.87 -12.57 60.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.519 -175.243 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.475 ' HG ' HE21 ' A' ' 112' ' ' GLN . 1.7 mt -89.54 -16.89 29.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.961 0.41 . . . . 0.0 110.503 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.721 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 89.7 t -60.09 -57.07 29.41 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.069 -177.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.721 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 35.3 Cg_exo -61.9 -36.73 70.73 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.532 2.154 . . . . 0.0 112.772 -176.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -47.45 85.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.976 0.417 . . . . 0.0 110.559 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -69.57 -34.55 74.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.929 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -63.9 -32.48 74.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 110.034 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -76.33 -43.2 42.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.182 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.58 -35.96 82.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.556 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 50' ' ' LEU . 18.5 mt -67.42 -53.77 26.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.195 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.714 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -64.91 -34.26 77.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.774 -175.122 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -52.3 66.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.575 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -74.91 -33.93 62.07 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.127 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.714 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -61.55 -31.81 71.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.339 . . . . 0.0 110.73 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.514 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 3.3 m -87.34 8.18 25.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.02 0.438 . . . . 0.0 111.011 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -109.37 -13.15 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.023 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.776 ' HG3' HG13 ' A' ' 47' ' ' ILE . 70.0 mm-40 -87.61 -43.67 11.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.42 0.629 . . . . 0.0 111.271 -175.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.294 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.434 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER . . . . . 0 CA--C 1.519 -0.235 0 CA-C-O 120.439 0.162 . . . . 0.0 110.803 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -41.85 85.95 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pp -84.18 -5.49 9.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.227 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.2 t70 -85.3 -18.73 33.02 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.793 172.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 65.3 mm-40 -88.1 -29.32 20.7 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -66.16 -38.21 87.51 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 112.957 -1.928 . . . . 0.0 109.395 169.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 5.0 m170 -53.79 -32.34 52.2 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.945 177.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.622 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -61.26 -40.31 93.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.568 -179.161 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.73 -30.83 70.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.896 0.379 . . . . 0.0 110.201 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CD1' HG21 ' A' ' 96' ' ' THR . 2.0 t80 -69.9 -47.86 60.86 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 175.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.579 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -64.89 -32.74 74.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.49 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -11.76 56.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.921 0.391 . . . . 0.0 111.015 -174.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.551 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -109.01 -39.94 5.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.355 178.308 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -71.29 -17.16 62.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.099 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.503 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -71.84 -59.69 2.8 Favored Pre-proline 0 C--N 1.33 -0.268 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.85 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.503 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 37.0 Cg_endo -68.39 -23.24 38.25 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.277 1.318 . . . . 0.0 111.555 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.612 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.7 t80 -72.82 -41.47 64.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.524 ' OD1' ' HE2' ' A' ' 106' ' ' LYS . 3.1 t30 -74.08 -20.87 60.14 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.499 0.666 . . . . 0.0 109.934 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.93 -44.48 31.35 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.905 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -59.23 -51.56 69.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.645 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.57 ' HE3' ' O ' ' A' ' 103' ' ' ILE . 2.2 mmt -55.4 -41.88 73.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.458 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.56 -44.85 66.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.091 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.7 m -66.45 -38.33 87.12 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.609 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.81 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.47 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 10.6 ttm -66.18 -29.27 69.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.397 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -68.53 -46.07 70.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.596 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.97 -43.14 95.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.996 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -67.88 -33.66 75.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.153 -178.375 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -81.52 -35.23 30.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.696 -178.051 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.42 139.37 58.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.546 -174.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.23 111.39 20.97 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.395 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -78.65 136.48 37.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.343 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 40' ' ' ILE . 9.0 tp -110.47 133.01 57.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.523 HG12 HD11 ' A' ' 50' ' ' LEU . 33.2 m -125.13 151.31 30.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.102 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -118.95 -41.88 2.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.314 0.578 . . . . 0.0 109.452 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.87 171.45 10.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.996 -175.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.645 ' HA ' HD13 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.78 -26.85 31.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.384 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.544 ' N ' HG13 ' A' ' 44' ' ' ILE . 1.3 mt-10 -52.28 -44.79 65.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.178 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -71.31 -37.27 71.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.593 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.645 HD13 ' HA ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -70.15 -21.09 23.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 109.948 179.241 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.54 9.39 18.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.913 172.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.08 -62.89 0.3 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.504 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD11 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -75.53 -4.42 39.73 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -175.522 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.714 HG12 ' HB3' ' A' ' 121' ' ' LEU . 15.7 mt -88.63 -43.5 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -31.13 71.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 178.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.41 -34.95 76.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.688 175.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -83.27 -25.22 31.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.356 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -67.94 -51.82 43.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -65.21 -23.51 67.1 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.631 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -62.54 -33.56 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.038 175.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.731 ' HE3' HD12 ' A' ' 61' ' ' LEU . 3.2 mmmm -71.6 -17.64 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.629 177.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.46 -31.91 17.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.461 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.13 -25.43 58.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.884 0.373 . . . . 0.0 111.022 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.731 HD12 ' HE3' ' A' ' 58' ' ' LYS . 2.9 mt -57.08 -55.89 39.25 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -176.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.6 Cg_endo -54.28 -33.05 74.14 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.38 2.054 . . . . 0.0 113.582 -176.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -81.59 -45.64 15.56 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.823 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.47 75.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.121 0.486 . . . . 0.0 110.669 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -61.06 -48.41 81.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.82 175.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -43.05 99.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.683 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.53 -36.43 83.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.249 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.612 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -58.75 -39.78 81.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.001 0.429 . . . . 0.0 110.406 178.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -73.74 -34.11 64.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.251 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.67 -10.91 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.092 0.472 . . . . 0.0 110.875 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.684 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -88.98 -40.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 176.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.79 -29.91 71.06 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.348 173.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.97 99.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.99 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 71' ' ' ILE . 10.1 mt -63.18 -44.39 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.726 . . . . 0.0 110.208 177.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.52 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -69.57 -16.92 63.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.292 -176.144 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -51.41 70.07 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.26 0.552 . . . . 0.0 109.925 176.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.449 ' HA ' ' HD2' ' A' ' 80' ' ' ARG . 1.1 mp0 -75.04 -33.09 61.71 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.211 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -81.15 -4.55 55.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.809 -177.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.52 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -115.53 -34.29 4.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.523 0.201 . . . . 0.0 111.119 177.574 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.449 ' HD2' ' HA ' ' A' ' 77' ' ' GLU . 11.1 ptm180 -56.0 -30.46 61.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.79 -176.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.9 pp -67.61 -36.06 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.875 0.369 . . . . 0.0 110.631 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.97 -22.3 36.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.122 0.487 . . . . 0.0 110.393 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 51.0 mm-40 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.251 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.622 ' HE2' HD22 ' A' ' 15' ' ' LEU . 2.6 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.011 0.434 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.579 ' HB ' ' HA ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -126.26 88.21 2.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 0.0 111.08 -175.126 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 61.0 m -60.61 -24.48 65.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.45 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.442 HG13 ' OG1' ' A' ' 96' ' ' THR . 0.6 OUTLIER -55.17 128.46 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.742 177.033 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.616 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -98.53 160.19 28.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.343 179.217 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.616 ' HD2' HG22 ' A' ' 99' ' ' THR . 9.3 Cg_endo -52.94 -41.21 72.72 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.94 2.427 . . . . 0.0 112.415 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -69.85 -36.64 75.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.348 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.18 -43.07 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.3 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.57 ' O ' ' HE3' ' A' ' 28' ' ' MET . 0.3 OUTLIER -79.28 -34.88 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.326 -177.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -72.2 -44.11 63.49 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.891 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.5 m -63.81 -33.15 75.03 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.019 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.524 ' HE2' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -64.34 -45.22 88.78 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.864 0.364 . . . . 0.0 110.618 177.04 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -60.28 -41.22 92.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.216 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -40.05 93.52 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.367 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -64.87 -43.39 93.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.289 176.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 114' ' ' VAL . 40.1 t -59.11 -48.8 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.373 177.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -56.18 -49.26 74.51 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.788 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.511 HE21 ' HG ' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -71.57 -16.03 62.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.687 -174.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.511 ' HG ' HE21 ' A' ' 112' ' ' GLN . 0.7 OUTLIER -91.44 -14.62 30.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.824 0.345 . . . . 0.0 110.692 179.177 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 110' ' ' VAL . 48.4 t -60.91 -57.46 26.29 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.517 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 28.5 Cg_endo -63.59 -30.11 70.45 Favored 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.179 1.92 . . . . 0.0 112.501 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -53.38 49.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.029 0.442 . . . . 0.0 110.382 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.67 ' HE ' HD11 ' A' ' 121' ' ' LEU . 2.8 tpt180 -69.06 -32.79 72.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.416 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -34.7 77.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.083 0.468 . . . . 0.0 109.844 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -76.33 -44.91 34.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.936 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.21 89.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.714 ' HB3' HG12 ' A' ' 51' ' ' ILE . 22.1 mt -66.08 -51.55 57.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.81 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.17 -43.77 98.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.284 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -39.28 88.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 110.893 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -47.06 61.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.075 -178.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.557 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -67.97 -22.22 65.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.637 178.653 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.5 m -78.48 -25.18 45.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.964 0.412 . . . . 0.0 110.171 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -19.24 61.35 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 109.899 173.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -104.8 -147.84 0.4 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.003 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.197 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.23 -42.81 54.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.192 0.52 . . . . 0.0 110.258 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.524 ' HA ' HD21 ' A' ' 13' ' ' LEU . 1.1 pt -77.6 -13.17 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.168 -178.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.4 t0 -71.14 -20.81 62.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 173.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -75.06 -34.73 61.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.373 177.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.676 HD12 ' HB2' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -85.05 -16.55 40.31 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 175.374 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 3.6 m170 -57.03 -31.75 65.46 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 171.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.594 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -63.13 -39.42 94.63 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.992 178.467 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -36.68 85.09 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.296 0.569 . . . . 0.0 110.131 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD1' HG21 ' A' ' 96' ' ' THR . 2.4 t80 -64.18 -48.37 76.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.768 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.654 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -65.7 -30.32 70.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.325 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.527 ' HE2' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -79.02 -23.15 44.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.349 -176.71 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.634 ' HB3' HD11 ' A' ' 71' ' ' ILE . 8.7 mtt180 -104.29 -34.75 8.22 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.571 -177.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -67.1 -23.7 65.86 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.55 -60.14 6.03 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.681 -176.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 39.2 Cg_endo -67.79 -27.43 37.64 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.761 1.641 . . . . 0.0 111.718 179.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.407 ' HE1' ' HB1' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -69.1 -39.53 78.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.514 179.401 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 1.5 t-20 -71.19 -27.25 63.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.844 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -68.27 -43.47 77.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.393 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -68.36 -51.3 45.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.371 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.519 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 3.6 mtt -54.49 -46.06 73.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.844 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -48.36 70.81 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.839 -178.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 m -65.87 -39.14 90.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.062 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.37 18.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.093 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.49 ' HE2' HG23 ' A' ' 110' ' ' VAL . 34.9 ttm -56.05 -45.12 79.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.267 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 7.0 mm-40 -73.42 -29.17 62.4 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -176.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.73 -34.87 60.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.071 0.462 . . . . 0.0 109.956 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mp -67.78 -34.77 77.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.986 -173.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.427 ' H ' ' HG2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -90.91 -18.81 24.12 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 33' ' ' GLU . 6.6 t0 -67.46 159.02 30.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.208 0.528 . . . . 0.0 111.721 -173.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -80.87 101.66 9.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.323 -177.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -78.23 138.24 38.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.852 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.0 tp -115.85 130.0 71.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.447 0.642 . . . . 0.0 110.569 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.08 155.98 38.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.742 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -102.89 -61.58 1.38 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.988 0.423 . . . . 0.0 110.322 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.87 171.74 7.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.482 -175.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.468 HD12 HE21 ' A' ' 129' ' ' GLN . 0.0 OUTLIER -64.1 -31.5 53.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-O 121.123 0.487 . . . . 0.0 110.736 177.216 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.13 -40.06 67.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.071 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.41 -40.46 77.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.165 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.763 HD11 ' HG3' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -62.14 -33.74 60.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.238 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -16.79 64.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.947 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.11 -44.71 1.24 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.572 176.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -50.01 75.5 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 123.806 0.842 . . . . 0.0 111.396 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.614 HG12 ' HB3' ' A' ' 121' ' ' LEU . 31.0 mt -65.54 -36.04 76.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.975 0.417 . . . . 0.0 110.434 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -64.47 -21.8 66.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.248 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.72 65.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.071 0.462 . . . . 0.0 110.251 175.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.438 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 14.1 t60 -91.93 -28.94 16.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.593 174.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.51 -54.62 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.551 175.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.97 -21.11 64.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.121 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.438 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 26.2 t80 -66.42 -33.85 76.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.227 175.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.712 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -69.03 -17.64 63.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.664 175.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.54 -27.67 17.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.608 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.88 -19.32 52.2 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 111.218 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.712 HD12 ' HE3' ' A' ' 58' ' ' LYS . 3.0 mt -57.94 -54.9 50.69 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -177.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 14.8 Cg_endo -57.22 -30.07 85.98 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.084 1.856 . . . . 0.0 112.772 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -73.92 -50.1 21.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.243 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.407 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -68.18 -33.32 74.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.114 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.74 -41.62 95.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.107 0.48 . . . . 0.0 110.08 177.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -43.75 91.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.618 178.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.63 -41.21 85.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.244 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.497 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -63.0 -34.96 78.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.583 0.23 . . . . 0.0 110.918 -178.164 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.74 -32.3 31.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.735 0.302 . . . . 0.0 110.505 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.67 -21.75 61.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.414 0.626 . . . . 0.0 110.53 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.634 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -82.83 -38.57 14.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.744 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mt -65.44 -32.36 73.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.675 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -64.14 -45.86 86.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.689 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.05 -40.08 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.295 0.569 . . . . 0.0 110.525 176.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.674 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -75.66 -13.64 60.33 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -178.749 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -64.16 -44.7 91.31 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -35.03 44.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.444 0.64 . . . . 0.0 109.844 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.676 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -80.93 -0.12 37.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.775 -175.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.642 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -122.25 -35.6 3.1 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 176.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -27.15 65.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.835 0.35 . . . . 0.0 111.42 -175.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pp -71.88 -31.07 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.292 0.568 . . . . 0.0 110.394 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.45 -16.06 35.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.842 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 10.5 mm-40 . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.336 178.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.594 ' CD2' HD13 ' A' ' 15' ' ' LEU . 3.9 m-85 . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.668 0.271 . . . . 0.0 111.374 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.654 ' HB ' ' HA ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -120.39 88.52 2.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.049 0.452 . . . . 0.0 110.803 -174.087 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.4 m -54.61 -33.94 61.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.306 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -51.61 125.55 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.87 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.674 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -99.03 159.26 30.66 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.557 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.674 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 11.5 Cg_endo -54.94 -42.66 66.86 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.219 2.613 . . . . 0.0 112.445 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -68.08 -36.64 80.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.991 0.425 . . . . 0.0 110.175 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -63.09 -38.08 81.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.474 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.465 ' O ' ' HE1' ' A' ' 28' ' ' MET . 0.3 OUTLIER -83.28 -34.9 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.212 -179.674 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.497 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 1.3 t-20 -70.49 -51.49 28.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.594 0.235 . . . . 0.0 111.27 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.9 m -67.33 -23.96 65.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 111.132 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.519 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 2.4 mttt -70.83 -42.19 70.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 0.0 110.027 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -58.39 -41.95 86.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.972 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.4 -41.03 93.0 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.428 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.455 ' O ' HD12 ' A' ' 113' ' ' LEU . 19.7 mttm -66.22 -28.54 68.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.769 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 114' ' ' VAL . 2.2 t -72.48 -45.16 60.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.135 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.433 ' NE2' HD13 ' A' ' 61' ' ' LEU . 32.0 mm-40 -62.37 -43.71 98.17 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.131 -176.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -22.63 67.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.579 -176.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.5 mt -89.48 -12.89 38.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 110' ' ' VAL . 99.5 t -65.86 -56.54 17.17 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 119.05 -0.5 . . . . 0.0 112.191 -175.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.91 -32.38 55.0 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.016 1.811 . . . . 0.0 112.258 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.2 -46.62 76.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.192 0.52 . . . . 0.0 110.051 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 117' ' ' ARG . 4.8 tpt180 -65.71 -37.67 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.415 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -36.98 66.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 175.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -78.95 -39.9 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.87 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.2 86.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.087 0.47 . . . . 0.0 110.57 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.614 ' HB3' HG12 ' A' ' 51' ' ' ILE . 12.8 mt -66.61 -46.42 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.709 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.797 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -64.32 -38.36 90.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.403 -179.122 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -42.82 86.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.036 0.446 . . . . 0.0 110.67 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.763 ' HG3' HD11 ' A' ' 47' ' ' ILE . 7.2 tp10 -71.07 -47.0 60.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.588 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.797 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -67.02 -20.78 65.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.475 -176.852 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.1 m -80.73 -12.36 59.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.995 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -93.77 -8.98 39.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.316 0.579 . . . . 0.0 109.819 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -84.89 -132.02 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.464 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.468 HE21 HD12 ' A' ' 44' ' ' ILE . 4.8 pt20 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.244 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--O 1.231 0.121 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.44 78.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.239 0.542 . . . . 0.0 110.53 -175.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.618 HD13 HD11 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -93.62 -7.88 10.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.691 -177.797 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 2.9 t0 -80.54 -27.38 37.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -67.37 -34.54 77.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.101 171.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 77' ' ' GLU . 37.3 mt -69.34 -33.76 73.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.493 173.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 39.7 m170 -61.54 -39.07 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 174.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.682 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.84 -44.88 96.37 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.175 176.15 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.24 -32.85 74.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.593 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -70.63 -45.82 64.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.88 -23.95 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.615 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -22.13 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.486 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' HB3' HD11 ' A' ' 71' ' ' ILE . 4.4 mtm180 -105.43 -33.67 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.627 -176.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -74.79 -18.28 60.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.641 0.258 . . . . 0.0 110.33 177.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.85 -56.55 11.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.465 -177.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.458 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 36.6 Cg_endo -68.52 -28.42 32.02 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 121.515 1.477 . . . . 0.0 111.904 177.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CE1' ' HB1' ' A' ' 64' ' ' ALA . 2.4 t80 -66.72 -43.51 84.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.849 0.357 . . . . 0.0 110.103 177.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.3 t-20 -68.75 -30.21 68.78 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.31 0.576 . . . . 0.0 109.903 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 23' ' ' PRO . 3.9 m-80 -70.1 -38.07 75.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.474 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -66.71 -48.02 70.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.539 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 53.2 mtm -60.16 -41.99 93.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.198 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 4.7 mm-40 -70.98 -18.24 62.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.293 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 m -93.55 -41.91 9.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.016 0.436 . . . . 0.0 110.135 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.37 -56.09 5.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.765 -176.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.4 ttm -62.68 -35.19 78.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.652 -177.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -71.04 -39.81 72.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.453 -178.524 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -73.03 -37.34 66.95 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.66 -31.37 71.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -40.57 30.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.453 176.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.4 133.75 56.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.357 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.78 110.06 15.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 110.613 -177.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -69.04 129.76 40.83 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.16 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 tp -107.17 131.64 56.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.605 HG12 ' HG3' ' A' ' 46' ' ' GLU . 3.0 m -126.56 98.09 4.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.516 0.674 . . . . 0.0 110.243 -177.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -75.58 -22.62 56.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.28 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -134.29 155.05 50.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.738 -177.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -75.07 -21.66 16.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.084 0.469 . . . . 0.0 110.738 -177.379 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -59.49 -37.1 77.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.924 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.605 ' HG3' HG12 ' A' ' 41' ' ' VAL . 1.1 pt-20 -85.58 -10.35 56.02 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.466 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.755 ' O ' HG12 ' A' ' 51' ' ' ILE . 28.6 mt -69.96 -46.99 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -61.94 -30.74 71.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.199 0.523 . . . . 0.0 110.344 -178.463 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.32 -43.22 21.03 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD23 ' CG1' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -55.66 -44.37 77.18 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.543 0.337 . . . . 0.0 111.315 176.634 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.755 HG12 ' O ' ' A' ' 47' ' ' ILE . 9.0 mm -63.93 -47.03 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.729 0.3 . . . . 0.0 110.339 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -62.7 -30.42 71.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.03 71.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.047 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -88.13 -25.66 22.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 110.121 177.215 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.37 -53.52 42.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.278 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -67.28 -24.18 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.192 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.42 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 46.0 t80 -65.84 -37.96 87.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.825 178.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.51 -11.37 60.77 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.701 176.318 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.99 -28.85 14.45 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.706 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -25.64 50.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.868 0.366 . . . . 0.0 110.795 173.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.6 mt -54.55 -57.31 19.4 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.63 -177.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 13.7 Cg_endo -57.01 -33.37 95.53 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.927 1.751 . . . . 0.0 112.415 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -69.84 -49.98 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.063 0.459 . . . . 0.0 110.462 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -71.23 -30.34 66.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.906 -179.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.21 -46.36 88.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.083 0.468 . . . . 0.0 110.623 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -69.42 -29.9 67.72 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.359 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.22 -38.16 87.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.569 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -32.58 72.38 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.251 0.548 . . . . 0.0 110.413 177.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -43.58 28.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.249 177.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.92 -21.24 64.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.89 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.64 -37.24 14.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.527 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 100' ' ' PRO . 1.5 mt -71.09 -20.91 62.29 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.424 174.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.67 -41.66 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.217 175.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 71' ' ' ILE . 31.3 mt -65.39 -45.24 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.14 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -20.6 64.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.567 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -78.37 -31.71 48.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.078 0.466 . . . . 0.0 110.173 -179.401 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.88 -7.92 57.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.928 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.549 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -111.37 -37.72 5.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.41 174.415 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -48.52 -45.08 36.74 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 121.459 0.647 . . . . 0.0 111.911 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.618 HD11 HD13 ' A' ' 10' ' ' ILE . 1.4 pp -51.25 -47.21 33.65 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.963 176.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.17 -22.45 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 111.067 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 10.2 mm-40 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.987 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.682 ' HE2' HD22 ' A' ' 15' ' ' LEU . 9.1 m-85 . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.522 HG23 HG13 ' A' ' 98' ' ' VAL . 1.1 m -128.79 96.38 4.36 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.1 m -80.71 68.28 6.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.545 0.688 . . . . 0.0 111.656 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.522 HG13 HG23 ' A' ' 96' ' ' THR . 1.4 m -125.98 152.58 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.898 174.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.524 ' HB ' ' HD2' ' A' ' 100' ' ' PRO . 23.0 p -110.06 167.52 8.97 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.607 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.532 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 17.1 Cg_endo -59.04 -24.69 74.68 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.505 2.137 . . . . 0.0 111.132 173.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -75.09 -49.01 21.04 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.714 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.419 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 4.4 mt -54.77 -49.31 69.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.01 -38.36 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.944 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.3 t-20 -83.36 -46.38 12.64 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.3 m -65.99 -35.49 80.73 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.302 -0.159 . . . . 0.0 111.096 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 9.8 mtpp -65.66 -39.75 91.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.539 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.8 t-105 -61.33 -44.22 97.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.472 175.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -42.64 98.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.548 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -64.73 -38.1 89.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.635 178.277 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 114' ' ' VAL . 3.2 t -58.83 -49.12 84.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.982 176.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 79.4 mm-40 -60.92 -45.51 94.35 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.007 -176.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.8 pt20 -69.45 -22.58 63.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -175.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -8.45 56.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.186 0.517 . . . . 0.0 110.774 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 110' ' ' VAL . 55.0 t -67.32 -56.7 12.2 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.726 -178.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 119' ' ' HIS . 35.4 Cg_endo -65.52 -29.34 52.96 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.924 1.749 . . . . 0.0 111.722 177.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -63.21 -48.86 76.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.203 0.525 . . . . 0.0 109.999 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -66.5 -42.69 87.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.618 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' HD12 ' A' ' 121' ' ' LEU . 19.2 t70 -61.12 -29.27 69.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.201 0.524 . . . . 0.0 110.641 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 115' ' ' PRO . 1.5 t-160 -76.87 -46.13 25.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.795 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.83 76.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.811 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.504 HD22 HD13 ' A' ' 51' ' ' ILE . 19.1 mt -61.04 -51.93 67.09 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.737 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.544 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.4 OUTLIER -67.03 -39.32 86.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.576 178.346 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -63.48 -39.32 94.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.761 179.276 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -51.83 54.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.954 178.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.544 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.4 pt20 -64.01 -23.82 67.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.49 -12.78 60.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 111.16 178.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 123' ' ' GLU . 17.8 mttm -92.38 -12.83 31.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.182 0.515 . . . . 0.0 109.873 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -102.65 -128.89 0.23 Allowed 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.788 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.135 -0.936 . . . . 0.0 109.828 -178.617 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 0.7 OUTLIER . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 120.699 0.285 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.46 82.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.104 0.478 . . . . 0.0 110.184 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.669 HG21 HG21 ' A' ' 81' ' ' ILE . 1.3 pp -81.81 -16.32 12.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.695 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.4 t70 -79.82 -26.5 40.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 21.3 mm-40 -74.5 -11.25 60.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.733 176.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -107.91 -5.05 17.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.148 0.499 . . . . 0.0 109.843 169.824 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.532 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -60.97 -36.39 79.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.218 174.213 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.887 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -80.25 -19.62 46.4 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.87 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.1 tp10 -64.82 -42.74 94.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.843 175.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -60.45 -44.82 95.46 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 173.311 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.537 ' HB2' HG23 ' A' ' 96' ' ' THR . . . -70.52 -18.97 62.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.643 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -33.68 40.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.811 0.338 . . . . 0.0 110.608 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HD2' ' OE2' ' A' ' 16' ' ' GLU . 3.8 mtp180 -89.26 -32.29 17.46 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.678 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -68.88 -20.11 64.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.494 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.11 -59.51 8.6 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.428 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 41.3 Cg_endo -68.61 -25.2 34.73 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 121.685 1.59 . . . . 0.0 111.977 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.59 -40.58 69.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 110.324 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.9 t-20 -72.3 -27.96 62.79 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.39 0.614 . . . . 0.0 109.725 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -67.92 -42.1 81.57 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.19 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -68.35 -52.1 36.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.254 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.559 ' HE1' HG13 ' A' ' 103' ' ' ILE . 21.3 mtm -56.25 -44.8 80.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.348 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -65.95 -44.37 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.955 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -70.96 -39.27 72.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.73 0.3 . . . . 0.0 110.722 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.05 -45.82 66.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.942 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.493 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 12.7 ttm -62.2 -34.82 77.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.448 . . . . 0.0 110.334 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -72.23 -46.29 56.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.379 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -66.26 -38.86 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.01 0.433 . . . . 0.0 110.064 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 4.4 mp -72.21 -18.3 61.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.881 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -92.36 -38.94 11.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.427 -179.408 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -83.6 162.8 20.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.12 -175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.72 118.65 24.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.072 -176.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -70.23 144.88 51.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.791 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 40' ' ' ILE . 10.6 tp -109.81 131.34 61.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.403 0.62 . . . . 0.0 110.577 177.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.466 HG12 HD23 ' A' ' 50' ' ' LEU . 25.6 m -127.36 160.98 35.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.655 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -122.42 -40.77 2.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.092 0.472 . . . . 0.0 109.929 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -125.52 165.9 17.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.174 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -65.22 -26.26 39.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 121.063 0.458 . . . . 0.0 110.243 177.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' N ' HG13 ' A' ' 44' ' ' ILE . 12.5 mt-10 -62.83 -44.23 96.7 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.998 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -72.04 -32.85 67.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.773 0.32 . . . . 0.0 110.311 176.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.576 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -63.6 -35.9 74.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.951 178.676 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.89 -35.21 62.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.895 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.9 -32.44 73.62 Favored Glycine 0 CA--C 1.51 -0.262 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -59.06 -42.88 91.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.027 -0.587 . . . . 0.0 109.994 172.138 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.0 mm -66.29 -41.8 89.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.556 176.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 m -58.01 -40.38 80.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.874 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.475 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . . . -65.04 -25.64 67.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.914 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -85.09 -29.07 25.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.619 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.11 -49.75 59.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' HA ' ' A' ' 53' ' ' ALA . 2.7 pt20 -65.85 -22.93 66.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.209 0.528 . . . . 0.0 110.186 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 29.4 t80 -65.99 -38.05 87.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.495 174.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -74.1 -10.28 59.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 176.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m -89.92 -35.8 15.38 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.307 0.575 . . . . 0.0 109.714 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.9 m -78.65 -22.87 46.23 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.793 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -59.03 11.29 Favored Pre-proline 0 C--O 1.22 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.031 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.98 -29.29 75.54 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.051 1.834 . . . . 0.0 112.258 -178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -49.78 39.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.284 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.72 -26.31 61.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.472 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -60.25 -47.5 85.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.909 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -64.23 -37.59 88.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.116 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -62.21 -31.5 72.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.605 -179.068 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.486 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -61.48 -34.42 75.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.86 0.362 . . . . 0.0 110.736 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -24.57 18.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.38 178.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' A' ' 67' ' ' GLU . . . -69.87 -8.15 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 110.504 175.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.26 -39.83 11.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.162 -0.926 . . . . 0.0 108.782 176.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.59 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -71.19 -22.65 62.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.018 173.627 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.75 -41.57 64.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.26 -39.54 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.703 0.764 . . . . 0.0 109.86 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.553 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 11.7 t-160 -58.1 -37.62 74.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.456 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 72' ' ' LEU . 1.1 mmmp? -55.03 -43.08 73.4 Favored 'General case' 0 C--N 1.311 -1.106 0 O-C-N 123.776 0.673 . . . . 0.0 110.794 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -36.33 73.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 110.428 -177.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.3 -12.68 42.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.564 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -94.99 -36.58 11.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.008 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -65.57 -24.94 67.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.669 HG21 HG21 ' A' ' 10' ' ' ILE . 2.3 pp -71.97 -31.76 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.824 0.345 . . . . 0.0 110.651 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.23 -16.78 48.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.38 0.61 . . . . 0.0 110.209 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.378 176.749 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.097 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.537 HG23 ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -83.5 71.78 10.3 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.416 -178.267 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.92 42.92 0.66 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 122.541 1.162 . . . . 0.0 110.618 175.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.573 HG21 HD12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -137.95 106.78 4.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 CA-C-N 113.891 -1.504 . . . . 0.0 109.774 -178.168 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.593 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -80.49 154.05 73.85 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.593 ' HD2' HG22 ' A' ' 99' ' ' THR . 9.5 Cg_endo -53.35 -39.6 80.87 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.888 2.392 . . . . 0.0 112.208 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -70.03 -34.21 72.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.246 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.89 -44.18 96.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.346 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.573 HD12 HG21 ' A' ' 98' ' ' VAL . 1.9 tt -76.81 -36.58 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 111.432 -177.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.486 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 0.6 OUTLIER -75.47 -45.91 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.732 0.301 . . . . 0.0 111.136 -176.798 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 39.9 m -69.82 -23.91 63.38 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.161 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -74.97 -38.34 61.69 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -59.81 -42.67 93.97 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 171.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -34.31 76.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.72 178.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -66.82 -38.76 87.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.97 0.414 . . . . 0.0 110.143 175.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 114' ' ' VAL . 54.6 t -61.88 -45.25 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.162 175.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.42 -20.72 66.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.154 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -27.86 27.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 3.2 mt -92.34 -17.57 24.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.657 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 16.0 t -56.46 -54.17 56.21 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.228 176.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.657 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 23.7 Cg_exo -65.83 -25.31 53.17 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.494 2.13 . . . . 0.0 112.169 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -54.02 35.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 109.656 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -31.52 70.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.535 177.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.512 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 0.2 OUTLIER -61.9 -33.96 75.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.272 0.558 . . . . 0.0 109.794 178.563 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -87.59 -39.82 14.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.444 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.38 -35.57 77.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.507 177.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 50' ' ' LEU . 21.4 mt -71.15 -51.23 26.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.733 177.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -57.18 -45.26 83.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.749 -179.599 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -31.51 72.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.812 0.339 . . . . 0.0 111.076 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 127' ' ' LYS . 15.9 tp10 -83.8 -48.18 10.35 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.057 -178.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.413 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -63.29 -24.64 67.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.706 -175.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.6 m -87.13 -2.71 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.318 . . . . 0.0 111.439 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 124' ' ' GLU . 0.5 OUTLIER -105.18 -5.13 20.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.216 0.531 . . . . 0.0 110.176 176.215 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.461 ' HB3' HG22 ' A' ' 44' ' ' ILE . 2.6 mt-30 -100.71 -47.82 4.71 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.658 0.742 . . . . 0.0 110.447 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.305 -1.353 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.054 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.899 -0.48 . . . . 0.0 111.899 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.34 119.57 11.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.809 0.338 . . . . 0.0 110.829 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.633 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -54.96 -38.79 68.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.922 -177.745 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 1.8 mp0 -53.91 -32.81 54.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 112.038 -175.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -84.38 -29.92 25.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.072 0.463 . . . . 0.0 110.042 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.599 ' O ' HG12 ' A' ' 10' ' ' ILE . 2.2 mm-40 -76.32 -19.87 57.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.327 178.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 3' ' ' THR . 6.9 mt -92.01 -40.25 11.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.935 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.536 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 6.8 tt0 -61.96 -41.7 98.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.26 -178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.57 -25.77 62.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.043 0.449 . . . . 0.0 111.051 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.719 HG21 HG12 ' A' ' 81' ' ' ILE . 1.1 pt -101.75 -6.02 9.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.203 0.525 . . . . 0.0 110.942 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 1.1 t0 -77.43 -31.02 53.7 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.362 0.601 . . . . 0.0 109.687 176.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 62.4 mm-40 -68.47 -20.64 64.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.82 172.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.89 HD13 ' HB3' ' A' ' 77' ' ' GLU . 26.8 mt -82.6 -36.42 26.17 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 173.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -59.42 -31.14 69.0 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 171.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.64 HD23 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -60.12 -47.77 84.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.983 178.341 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -72.78 -28.75 62.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.501 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 2.6 t80 -67.12 -47.54 70.82 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -29.14 69.82 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -32.61 61.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.473 -177.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -98.95 -31.24 11.92 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.712 -0.395 . . . . 0.0 111.55 -177.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.2 -20.67 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.655 0.264 . . . . 0.0 110.575 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.455 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.41 -58.42 10.37 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.81 -176.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.455 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 39.9 Cg_endo -68.16 -31.03 30.42 Favored 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 121.443 1.428 . . . . 0.0 111.567 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.466 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.2 t80 -66.67 -40.48 88.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.702 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -69.67 -28.13 65.61 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.411 0.624 . . . . 0.0 110.075 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.9 -40.24 48.1 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.307 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -64.63 -51.19 63.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.97 -1.013 . . . . 0.0 110.239 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.526 ' O ' ' HB2' ' A' ' 32' ' ' MET . 25.6 mtm -58.29 -39.93 80.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.788 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.26 -51.7 49.71 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.057 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -60.84 -41.13 95.2 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.147 0.499 . . . . 0.0 110.64 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.34 75.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.833 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.526 ' HB2' ' O ' ' A' ' 28' ' ' MET . 7.1 ttm -62.91 -35.82 81.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.444 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.96 -47.96 78.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.422 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -72.28 -34.65 68.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.357 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -73.17 -30.89 63.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.811 -178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -70.1 -44.5 68.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.53 178.549 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -70.22 135.32 48.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.906 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 6.6 tpt -74.16 120.82 20.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.909 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -72.89 138.91 46.51 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.693 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.4 tp -117.28 131.84 68.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.953 173.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.921 HG21 HG12 ' A' ' 47' ' ' ILE . 4.4 m -125.34 152.99 32.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.376 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.8 m80 -107.7 -65.52 1.1 Allowed 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.698 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -98.04 168.1 10.49 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.214 -174.282 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -37.75 80.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.137 -176.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.698 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 1.4 mp0 -54.79 -33.1 61.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.703 177.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -79.46 -30.86 42.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.922 0.391 . . . . 0.0 110.553 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.921 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -70.05 -34.16 58.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.187 -179.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 1.5 pt-20 -81.45 -35.66 30.31 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -65.36 -34.78 90.3 Favored Glycine 0 C--N 1.328 0.125 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.748 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.98 -37.8 86.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.347 0.594 . . . . 0.0 110.189 175.339 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 47' ' ' ILE . 12.9 mt -69.16 -37.48 76.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.839 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 m -59.56 -30.97 69.01 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.953 0.406 . . . . 0.0 110.919 174.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.82 -22.81 65.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.24 0.543 . . . . 0.0 110.607 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.81 -26.83 19.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.799 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -60.91 -56.24 23.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.673 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -67.27 -18.64 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.717 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -74.7 -40.15 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.37 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.64 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.63 -14.92 63.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.653 178.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.83 -30.86 12.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.907 0.384 . . . . 0.0 110.649 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -27.82 32.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.64 HD12 ' HE3' ' A' ' 58' ' ' LYS . 2.2 mt -54.53 -57.62 17.94 Favored Pre-proline 0 C--O 1.222 -0.388 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.004 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 18.8 Cg_endo -58.78 -27.92 85.28 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.861 1.707 . . . . 0.0 112.48 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -78.04 -48.67 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.142 0.496 . . . . 0.0 110.427 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 67' ' ' GLU . . . -69.94 -24.31 63.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.366 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.85 -47.81 81.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.101 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -68.44 -29.21 67.81 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.122 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HG3' HD12 ' A' ' 71' ' ' ILE . 3.4 tp10 -60.81 -43.44 98.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.558 176.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -62.05 -37.18 84.0 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.985 0.421 . . . . 0.0 110.524 178.601 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -72.53 -35.04 67.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.464 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.32 -17.35 61.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.156 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.424 HD12 ' HG3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -83.3 -37.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 67.4 mt -70.12 -26.78 64.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.242 172.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.454 ' O ' ' HE3' ' A' ' 76' ' ' LYS . . . -67.44 -19.29 65.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.892 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.8 mt -88.9 -38.09 10.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.701 0.762 . . . . 0.0 109.626 173.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.457 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -70.22 -24.56 63.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.795 -176.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HE3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -63.93 -34.43 77.95 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.894 0.378 . . . . 0.0 110.754 -178.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.89 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -77.62 -34.85 53.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.013 0.435 . . . . 0.0 110.543 179.069 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.488 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -87.43 -14.67 39.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.101 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -99.71 -31.25 11.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.166 -0.334 . . . . 0.0 111.698 -178.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -63.18 -26.07 68.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.938 -172.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.719 HG12 HG21 ' A' ' 10' ' ' ILE . 2.4 pp -70.85 -33.01 50.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.007 0.432 . . . . 0.0 110.36 176.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.457 ' HA ' HG12 ' A' ' 87' ' ' ILE . . . -78.5 -23.36 46.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.275 0.56 . . . . 0.0 110.594 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 18.3 mm-40 -88.13 -9.19 53.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.191 -178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.0 p -116.53 -28.11 6.53 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.888 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -121.23 146.2 47.05 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -79.22 68.18 5.13 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.022 0.439 . . . . 0.0 110.592 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.46 ' CD1' ' HG ' ' A' ' 89' ' ' LEU . 1.1 pp -85.15 168.44 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.277 178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.31 83.05 2.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.057 0.456 . . . . 0.0 110.886 -177.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 87' ' ' ILE . 8.7 mt -73.55 141.52 46.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.119 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.07 61.99 6.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.035 0.445 . . . . 0.0 110.603 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.84 -140.85 15.1 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.137 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -48.8 11.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.756 0.313 . . . . 0.0 111.231 -178.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -160.41 146.08 11.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.103 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -80.39 -31.39 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.908 2.405 . . . . 0.0 113.51 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.64 ' CE2' HD23 ' A' ' 15' ' ' LEU . 18.6 m-85 -105.67 -41.68 5.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.697 0.284 . . . . 0.0 111.592 -172.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.0 t -128.1 114.55 17.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.195 0.521 . . . . 0.0 110.532 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.87 68.76 6.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.5 0.667 . . . . 0.0 112.084 -174.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.06 126.58 56.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.193 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.64 153.04 43.91 Favored Pre-proline 0 C--N 1.316 -0.848 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.69 -40.93 38.6 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.509 2.139 . . . . 0.0 112.283 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -68.09 -41.44 81.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.275 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.467 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.1 mp -59.58 -39.01 78.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -80.18 -32.93 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.708 0.29 . . . . 0.0 111.198 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.474 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 1.6 t-20 -75.22 -48.95 21.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.931 0.396 . . . . 0.0 111.021 -178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.3 m -67.52 -29.16 68.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.253 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 4.7 mttt -66.51 -40.53 89.26 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -61.66 -42.5 98.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.092 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.98 -32.47 73.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.773 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.518 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 2.8 mttt -68.22 -42.35 79.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.057 0.456 . . . . 0.0 110.134 176.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 114' ' ' VAL . 49.0 t -59.86 -47.36 91.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.473 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -63.21 -40.89 98.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.723 -178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.518 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 2.6 pt20 -69.0 -24.16 64.18 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.563 -177.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 9.7 mt -86.21 -14.13 44.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 111.008 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.709 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 72.9 t -59.95 -57.26 28.1 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.858 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.709 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 25.1 Cg_exo -63.43 -39.91 34.18 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.547 2.165 . . . . 0.0 112.289 -177.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -53.52 -48.06 69.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.165 0.507 . . . . 0.0 110.738 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 117' ' ' ARG . 0.8 OUTLIER -76.18 -37.09 58.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.809 -179.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.81 -29.76 70.74 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.292 0.567 . . . . 0.0 110.4 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -80.23 -47.37 14.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.577 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.48 87.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.893 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.481 ' HB3' HG12 ' A' ' 51' ' ' ILE . 18.6 mt -62.33 -52.32 64.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.774 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.0 OUTLIER -68.41 -33.56 74.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.639 -177.458 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.42 -44.15 79.48 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.334 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -43.13 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.774 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -66.87 -26.8 67.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.003 -178.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 39.3 m -84.57 -8.89 58.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.968 0.413 . . . . 0.0 111.296 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.29 6.37 37.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.119 0.485 . . . . 0.0 110.107 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.43 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 25.1 mm-40 -83.37 -128.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.728 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.43 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 1.4 pt20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.383 -0.817 . . . . 0.0 110.046 -178.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.33 87.26 7.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.197 0.522 . . . . 0.0 111.01 -177.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.0 m -124.54 -42.22 2.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.939 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.584 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -75.4 -33.21 60.96 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.073 -179.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 34.8 mmtm -80.71 -26.45 37.45 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.224 0.535 . . . . 0.0 109.66 -176.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -71.99 -28.04 63.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.547 174.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -91.5 -31.21 16.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.695 178.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -68.98 -31.88 71.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.92 0.39 . . . . 0.0 110.549 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.22 -39.77 65.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.307 0.575 . . . . 0.0 109.956 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.703 HD11 HD21 ' A' ' 89' ' ' LEU . 1.1 pt -84.34 -5.33 9.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.497 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.5 t0 -71.94 -24.35 61.61 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.523 ' HA ' HD23 ' A' ' 15' ' ' LEU . 47.0 mm-40 -73.22 -28.34 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.386 174.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -72.64 -34.36 67.25 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 170.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 33.5 m170 -62.19 -29.93 70.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.623 175.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.616 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -64.38 -44.9 89.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 175.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -64.85 -35.37 80.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.375 0.607 . . . . 0.0 110.088 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.683 ' HB3' HG21 ' A' ' 96' ' ' THR . 0.4 OUTLIER -68.83 -42.36 77.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.151 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' CA ' HG23 ' A' ' 96' ' ' THR . . . -75.39 -13.85 60.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.383 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.23 -27.21 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 0.0 111.134 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.517 ' HB3' HD11 ' A' ' 71' ' ' ILE . 31.7 mtp85 -100.12 -42.06 6.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.759 0.314 . . . . 0.0 111.427 -177.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.93 -9.2 58.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.954 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -73.84 -55.53 3.22 Favored Pre-proline 0 C--N 1.328 -0.332 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.639 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.782 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 19.6 Cg_exo -66.7 -30.14 42.11 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.739 1.626 . . . . 0.0 111.194 173.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.471 ' CE1' ' HB1' ' A' ' 64' ' ' ALA . 1.4 t80 -65.58 -42.69 91.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.537 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -72.03 -28.37 63.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.344 0.592 . . . . 0.0 109.93 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -73.55 -35.64 65.53 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.099 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -66.57 -50.64 62.44 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.607 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.7 mtt -55.59 -49.56 72.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.375 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -41.59 86.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.313 -177.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 m -78.71 -36.27 43.7 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.387 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.97 -52.18 9.83 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -175.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.537 ' HE2' ' HB3' ' A' ' 109' ' ' LYS . 0.7 OUTLIER -65.01 -36.81 85.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.837 0.351 . . . . 0.0 110.735 -176.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.12 -41.18 86.62 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.237 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -68.43 -31.96 71.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.099 0.476 . . . . 0.0 110.26 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' HA ' ' NE ' ' A' ' 117' ' ' ARG . 3.6 mp -74.6 -36.84 63.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.858 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -36.42 42.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.932 -178.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -75.47 151.57 38.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.107 0.48 . . . . 0.0 111.452 -175.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.94 104.58 6.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.578 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -64.12 136.16 57.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.199 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.3 tp -104.35 132.5 50.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-O 121.348 0.594 . . . . 0.0 109.968 175.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -126.92 156.16 38.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.877 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -118.98 -52.19 2.32 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 176.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.64 159.02 26.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.598 -172.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.855 HG13 ' HA ' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -52.88 -37.44 25.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.945 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -43.38 84.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.715 0.293 . . . . 0.0 111.479 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.71 -34.35 67.06 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.265 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.702 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -65.61 -38.42 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.616 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.32 -35.97 76.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.944 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.41 -37.29 62.75 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.538 ' HB3' HD22 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -55.63 -45.46 77.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.029 -0.585 . . . . 0.0 110.624 174.371 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.702 HG12 ' O ' ' A' ' 47' ' ' ILE . 1.4 mm -68.81 -41.03 82.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.627 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.6 m -59.76 -45.01 93.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.28 69.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.797 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.432 ' O ' ' HB3' ' A' ' 57' ' ' PHE . 1.9 t60 -75.85 -32.74 59.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.543 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.29 -41.35 61.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.393 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -64.94 -30.17 71.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.402 0.62 . . . . 0.0 109.617 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 31.9 t80 -61.52 -38.1 86.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.572 174.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.687 ' HE3' HD12 ' A' ' 61' ' ' LEU . 4.8 mmmm -70.68 -12.67 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.292 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.433 ' O ' ' HD2' ' A' ' 62' ' ' PRO . 0.5 OUTLIER -96.71 -31.83 12.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.214 0.53 . . . . 0.0 110.073 177.56 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 m -76.86 -24.66 52.63 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.334 176.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.687 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.0 OUTLIER -56.4 -55.55 41.21 Favored Pre-proline 0 C--O 1.222 -0.37 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.811 -179.795 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 52.3 Cg_exo -56.77 -35.94 98.26 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.055 1.836 . . . . 0.0 112.539 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -70.24 -46.37 64.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.123 0.487 . . . . 0.0 110.801 -179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.471 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -71.32 -30.21 65.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.641 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.484 ' O ' ' HD2' ' A' ' 68' ' ' ARG . 2.9 t70 -61.03 -46.18 91.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.958 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -41.26 94.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.492 177.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' A' ' 20' ' ' ARG . 42.0 mm-40 -60.53 -41.79 95.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.852 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HD2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -57.89 -41.09 81.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.99 -179.057 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -39.82 61.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.891 0.377 . . . . 0.0 110.605 178.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.34 -15.01 63.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.247 0.546 . . . . 0.0 111.047 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.556 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -91.28 -36.24 7.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.661 HD21 ' HB3' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -68.0 -28.25 67.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.402 173.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.72 85.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.769 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 71' ' ' ILE . 18.5 mt -65.67 -42.58 92.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.445 0.641 . . . . 0.0 110.309 177.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.432 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -71.85 -15.92 62.14 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.913 -179.036 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -40.52 71.72 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -74.74 -37.71 62.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.191 0.52 . . . . 0.0 109.608 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.51 -5.78 55.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.404 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -104.27 -41.32 5.82 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.077 -0.249 . . . . 0.0 111.217 175.355 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 ptt85 -61.06 -22.98 65.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.748 0.309 . . . . 0.0 111.05 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.413 HG21 HG21 ' A' ' 10' ' ' ILE . 1.5 pp -63.89 -45.07 98.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.019 0.438 . . . . 0.0 110.084 175.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.44 -19.95 44.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.225 0.536 . . . . 0.0 110.5 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -73.57 -38.53 65.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.265 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.0 m -77.53 -47.67 18.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.924 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.36 130.69 51.26 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -73.95 72.55 1.62 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.223 0.535 . . . . 0.0 111.673 -174.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.674 HD11 ' HG ' ' A' ' 89' ' ' LEU . 1.1 pt -77.96 178.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.953 173.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.01 76.71 1.11 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.248 0.547 . . . . 0.0 111.906 -173.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.703 HD21 HD11 ' A' ' 10' ' ' ILE . 10.7 mt -83.09 -46.38 12.87 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.08 172.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 m 53.13 -119.03 1.43 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.445 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.62 23.18 3.44 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.552 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.461 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 2.5 m -86.39 60.18 6.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 111.535 -176.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.83 104.22 6.29 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.719 177.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 92' ' ' SER . 56.8 Cg_endo -75.54 -47.25 0.19 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.812 2.341 . . . . 0.0 113.629 -171.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.616 ' CD2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -93.93 -49.66 5.7 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.486 0.66 . . . . 0.0 109.322 -179.557 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.683 HG21 ' HB3' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -86.61 75.06 9.75 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.87 -177.398 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.54 51.37 2.2 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 122.073 0.939 . . . . 0.0 110.787 174.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.508 HG23 HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -135.6 96.35 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 114.145 -1.389 . . . . 0.0 110.055 -178.39 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.681 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -75.7 154.56 85.36 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.543 -178.143 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.681 ' HD2' HG22 ' A' ' 99' ' ' THR . 9.2 Cg_endo -52.36 -40.67 70.16 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.99 2.46 . . . . 0.0 112.802 -178.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -68.21 -42.13 80.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.976 0.417 . . . . 0.0 110.08 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.662 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -57.77 -34.75 48.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.047 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.4 -31.66 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.425 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -75.65 -51.94 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.608 0.242 . . . . 0.0 111.246 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.9 m -67.21 -31.15 71.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.884 0.373 . . . . 0.0 110.593 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.662 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -63.94 -43.35 96.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 174.774 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 62.7 t-105 -62.51 -40.94 98.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.613 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -39.56 90.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.074 0.464 . . . . 0.0 110.456 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 5.2 ttmt -66.35 -40.91 90.11 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.401 176.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 114' ' ' VAL . 54.6 t -57.03 -46.25 84.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.958 0.409 . . . . 0.0 110.438 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -59.28 -45.13 92.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.453 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.5 pt20 -74.92 -20.05 59.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.263 -176.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.419 ' HB3' HD23 ' A' ' 35' ' ' LEU . 3.7 mt -84.64 -14.53 48.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.603 179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.445 HG11 ' HD3' ' A' ' 58' ' ' LYS . 37.9 t -62.22 -58.5 17.16 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.486 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.84 -26.21 44.91 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.129 1.886 . . . . 0.0 112.06 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.518 ' HA ' ' HD3' ' A' ' 116' ' ' LYS . 0.5 OUTLIER -68.9 -51.76 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.22 178.238 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -65.33 -33.04 75.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.941 176.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.13 -31.91 73.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.057 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.38 -45.77 52.9 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.103 -177.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.38 71.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 50' ' ' LEU . 21.3 mt -67.74 -48.95 64.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.807 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 1.015 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -66.35 -30.04 70.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.728 -179.24 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -46.5 87.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.593 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -79.54 -38.61 33.81 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.355 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 1.015 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -63.37 -27.7 69.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.587 0.232 . . . . 0.0 111.466 -178.497 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 14.7 m -78.83 -7.82 58.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.384 0.611 . . . . 0.0 110.587 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -111.43 -5.41 14.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.686 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -131.6 85.91 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.193 -175.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.855 ' HA ' HG13 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.21 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.111 176.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.829 -0.508 . . . . 0.0 111.829 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m 60.7 21.95 11.89 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.001 0.52 . . . . 0.0 111.297 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.85 -18.99 59.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.034 -177.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.628 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 1.3 pm0 -66.55 -12.55 58.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.824 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.53 -33.78 14.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' O ' HG12 ' A' ' 10' ' ' ILE . 5.2 mm100 -69.28 -37.9 78.08 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.276 177.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.604 ' CD2' ' HA ' ' A' ' 4' ' ' GLU . 1.1 pp -80.69 -34.44 34.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.134 -177.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.628 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -77.33 -32.78 55.42 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.099 -0.241 . . . . 0.0 111.16 -177.26 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.0 86.73 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.613 0.721 . . . . 0.0 109.316 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.576 HG21 HG12 ' A' ' 81' ' ' ILE . 1.1 pt -89.24 -7.37 10.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.801 178.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -77.05 -32.4 56.89 Favored 'General case' 0 C--O 1.222 -0.373 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.432 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.508 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 71.1 mm-40 -69.22 -21.32 63.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.873 171.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.5 mt -79.35 -39.27 33.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.42 ' CE1' HD12 ' A' ' 10' ' ' ILE . 48.3 m170 -59.65 -30.36 68.69 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 171.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.601 HD23 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -61.44 -52.39 64.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.687 177.225 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -28.27 67.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.409 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.432 ' HE2' ' CB ' ' A' ' 75' ' ' HIS . 1.7 t80 -67.67 -45.46 75.15 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.3 -14.18 61.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.476 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.47 -8.3 24.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.545 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' A' ' 20' ' ' ARG . 1.1 mtt-85 -118.3 -41.7 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.374 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.34 -11.89 60.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.724 0.297 . . . . 0.0 110.631 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -73.63 -58.1 2.37 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.961 -177.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 33.0 Cg_endo -66.08 -29.11 48.59 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 121.504 1.47 . . . . 0.0 111.106 175.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.484 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.6 t80 -67.85 -41.7 82.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.407 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.702 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 28.4 t-20 -68.99 -31.33 70.1 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -68.85 -37.37 79.07 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.111 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -69.35 -46.9 65.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.776 175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.69 ' HB3' ' HE3' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -55.28 -29.82 58.92 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.009 178.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.702 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 4.8 mm-40 -72.72 -64.1 1.03 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.598 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.03 -39.93 93.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.831 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.73 -53.89 10.43 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -39.65 94.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.13 -175.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -37.65 85.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.338 -178.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.45 -35.71 70.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 109.958 177.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -40.85 88.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.029 -176.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -15.34 43.02 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.355 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.6 150.11 34.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.937 0.398 . . . . 0.0 110.956 -178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.5 mtm -87.62 105.6 17.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.765 177.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -64.75 141.09 58.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.802 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 40' ' ' ILE . 8.2 tp -120.66 134.75 63.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.668 172.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.848 HG21 HG12 ' A' ' 47' ' ' ILE . 17.2 m -124.68 155.94 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.926 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -115.83 -53.29 2.58 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.252 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.3 p -102.21 166.06 10.8 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.888 ' HB ' ' HA ' ' A' ' 129' ' ' GLN . 0.6 OUTLIER -67.82 -21.31 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.267 0.556 . . . . 0.0 109.92 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.15 -50.66 69.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.965 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.25 -31.75 73.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.0 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.848 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -65.73 -34.02 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.255 -179.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -80.57 -31.4 36.83 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.05 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.64 -41.27 75.83 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -58.1 -44.77 87.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.327 0.584 . . . . 0.0 110.531 176.467 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.419 HG12 ' HB3' ' A' ' 121' ' ' LEU . 70.1 mt -73.89 -35.28 42.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.336 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.9 m -60.06 -41.08 91.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.971 0.415 . . . . 0.0 110.017 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.15 -33.08 74.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.82 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' PHE . 1.1 t60 -71.78 -38.25 70.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.603 178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.74 -51.33 62.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.538 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -63.52 -25.51 68.29 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.408 178.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 54' ' ' HIS . 34.8 t80 -60.81 -36.79 79.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.226 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.681 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -72.15 -11.5 60.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.012 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.29 -30.72 13.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.295 0.569 . . . . 0.0 110.253 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.29 -25.16 54.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.959 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.681 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.5 mt -57.35 -56.13 37.12 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.143 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 18.2 Cg_endo -59.08 -31.0 94.75 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 121.909 1.74 . . . . 0.0 112.582 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -72.53 -48.65 38.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.3 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -72.39 -29.1 63.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.17 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.451 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 16.2 t0 -64.15 -47.04 81.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.146 0.498 . . . . 0.0 110.24 177.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -33.08 75.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.09 177.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -63.44 -45.07 92.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.509 176.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -61.19 -42.64 98.94 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.931 0.396 . . . . 0.0 110.41 178.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -65.42 -37.74 87.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.54 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.55 -20.12 60.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.254 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -84.65 -37.42 12.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 72' ' ' LEU . 9.8 mt -67.88 -28.73 67.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.062 172.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.53 -36.88 79.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.42 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.4 mt -67.76 -43.79 86.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.995 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.432 ' CB ' ' HE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -74.31 -13.17 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.287 -177.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 11.6 mttt -58.73 -49.32 78.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.704 0.288 . . . . 0.0 110.879 -178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -80.68 -29.44 36.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.417 0.627 . . . . 0.0 109.743 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.497 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -75.58 -21.02 58.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.444 -177.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -32.73 11.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.709 0.29 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -62.42 -31.38 72.06 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -173.461 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.576 HG12 HG21 ' A' ' 10' ' ' ILE . 2.4 pp -66.46 -33.41 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.229 0.537 . . . . 0.0 110.236 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.02 -25.67 29.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.692 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -75.24 -33.38 61.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.338 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.3 m -73.8 -32.67 63.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.373 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.554 ' HB3' HG23 ' A' ' 87' ' ' ILE . 57.8 m-80 -98.64 -152.38 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 175.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.44 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -142.51 38.85 1.53 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.512 0.672 . . . . 0.0 109.189 166.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.554 HG23 ' HB3' ' A' ' 85' ' ' ASN . 3.1 pt -84.03 177.65 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.888 -173.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.19 89.5 3.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.681 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -40.74 100.47 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.843 -177.554 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.49 ' HB2' ' HD3' ' A' ' 94' ' ' PRO . 0.7 OUTLIER 48.35 40.92 15.53 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 123.939 0.774 . . . . 0.0 111.498 179.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.73 -105.99 2.9 Favored Glycine 0 N--CA 1.446 -0.633 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.9 52.7 1.75 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.438 ' HB3' ' O ' ' A' ' 96' ' ' THR . 2.0 t-20 71.36 119.12 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.015 -174.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.49 ' HD3' ' HB2' ' A' ' 90' ' ' SER . 49.5 Cg_endo -84.04 -22.48 3.45 Favored 'Trans proline' 0 C--N 1.332 -0.339 0 C-N-CA 123.046 2.497 . . . . 0.0 113.808 -170.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.601 ' CE2' HD23 ' A' ' 15' ' ' LEU . 10.6 m-85 -113.7 -46.4 3.04 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.395 -171.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' A' ' 93' ' ' ASN . 10.6 t -128.81 142.08 51.09 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.018 -175.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.2 m -108.46 67.54 0.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.39 0.614 . . . . 0.0 111.2 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.89 109.48 12.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.603 178.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.406 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -80.35 158.4 71.73 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.249 177.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.406 ' HD2' HG22 ' A' ' 99' ' ' THR . 12.4 Cg_endo -56.04 -37.1 96.73 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.608 2.206 . . . . 0.0 111.748 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.53 -38.82 74.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.504 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -40.91 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.782 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.4 -36.51 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -177.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -76.04 -40.26 53.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.574 0.226 . . . . 0.0 111.521 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.7 m -75.45 -29.86 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.988 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.69 ' HE3' ' HB3' ' A' ' 28' ' ' MET . 0.2 OUTLIER -66.11 -44.13 85.21 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.014 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.451 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 64.7 t-105 -57.83 -42.58 84.64 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.407 176.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.508 ' HB3' ' HE2' ' A' ' 109' ' ' LYS . 1.6 tm-20 -53.05 -42.89 66.22 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.533 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.508 ' HE2' ' HB3' ' A' ' 108' ' ' GLU . 3.0 mmtt -77.27 -33.96 55.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.737 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 106' ' ' LYS . 41.9 t -56.8 -47.85 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.629 177.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.415 HE21 HD13 ' A' ' 61' ' ' LEU . 3.6 mm-40 -59.53 -41.58 90.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.773 -178.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.48 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 6.4 pt20 -82.09 -12.43 58.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.604 -174.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.4 mt -88.95 -15.81 33.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.978 0.418 . . . . 0.0 110.94 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.83 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 64.1 t -60.6 -59.24 14.48 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.297 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.83 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 31.7 Cg_exo -62.05 -35.63 75.12 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.535 2.157 . . . . 0.0 112.645 -178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -58.78 -50.65 73.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.114 0.483 . . . . 0.0 110.199 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -70.85 -30.98 67.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.593 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -35.77 80.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.545 0.688 . . . . 0.0 109.981 178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -72.65 -44.33 62.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.186 -176.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.85 -37.83 87.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.799 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.419 ' HB3' HG12 ' A' ' 51' ' ' ILE . 16.8 mt -65.55 -51.69 58.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.414 -176.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.645 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -63.21 -38.25 90.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.106 -178.099 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -40.65 95.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.869 0.366 . . . . 0.0 110.538 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -71.33 -52.99 15.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.645 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -57.79 -27.0 62.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.761 -175.215 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 72.6 m -65.38 -33.7 76.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.788 0.328 . . . . 0.0 111.76 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.13 9.97 28.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.944 0.402 . . . . 0.0 110.093 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -132.25 24.46 4.51 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -174.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.888 ' HA ' ' HB ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 CA-C-O 118.234 -0.888 . . . . 0.0 109.676 175.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.33 92.13 0.41 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.192 0.52 . . . . 0.0 111.004 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.663 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 3.8 m -150.79 -30.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.404 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.589 ' HA ' HD12 ' A' ' 7' ' ' LEU . 13.8 pm0 -61.76 -25.94 67.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.96 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.4 -29.57 33.89 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -176.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -71.18 -36.93 72.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.219 174.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 3' ' ' THR . 8.7 mt -74.43 -43.96 53.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.811 -177.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.35 -33.57 63.16 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.572 -174.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.18 85.52 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.207 0.527 . . . . 0.0 109.901 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.601 ' HB ' ' HA ' ' A' ' 78' ' ' ALA . 1.2 pp -85.25 -13.74 11.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.579 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.9 t0 -75.19 -30.45 60.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.872 175.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -69.5 -30.22 68.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.641 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.52 -9.88 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.938 0.399 . . . . 0.0 110.182 175.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -60.13 -28.95 68.31 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 171.609 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.601 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.7 OUTLIER -60.19 -39.93 88.24 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.925 177.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.79 -34.54 78.13 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-O 120.999 0.428 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.99 -45.73 80.56 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HA ' ' OG1' ' A' ' 96' ' ' THR . . . -71.77 -21.71 61.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.808 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.98 -23.27 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.098 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -105.17 -37.33 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.903 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -20.35 64.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.893 0.377 . . . . 0.0 110.176 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.34 -58.34 10.68 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.861 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.45 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 40.9 Cg_endo -68.12 -33.31 25.43 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.456 1.437 . . . . 0.0 111.753 178.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -63.92 -41.77 97.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.721 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -72.06 -24.29 61.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.304 0.574 . . . . 0.0 110.099 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -72.39 -41.48 66.28 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.143 -0.935 . . . . 0.0 108.99 176.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -65.53 -47.06 77.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.104 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.628 ' HE2' ' HE3' ' A' ' 107' ' ' TRP . 1.8 mmt -54.77 -38.2 66.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.302 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -53.1 44.96 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.7 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -41.71 81.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.882 0.372 . . . . 0.0 111.114 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.02 -52.87 24.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.577 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.503 ' HE2' ' HB2' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -61.03 -36.72 80.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.727 0.299 . . . . 0.0 110.77 -177.136 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.91 -46.05 83.33 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.594 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -73.54 -31.11 63.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 110.398 -177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -58.08 -29.97 65.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.349 -175.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.428 ' H ' ' HG2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -101.91 -11.99 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.876 0.37 . . . . 0.0 111.582 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.26 152.1 24.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.989 0.423 . . . . 0.0 111.654 -172.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.77 111.12 19.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.298 0.571 . . . . 0.0 110.447 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 121' ' ' LEU . 26.4 p90 -69.53 139.87 53.85 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.067 -178.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 tp -106.88 133.29 51.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.282 0.563 . . . . 0.0 110.237 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.61 HG12 HD23 ' A' ' 50' ' ' LEU . 23.5 m -118.22 161.09 17.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.715 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -120.46 -50.5 2.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.023 0.439 . . . . 0.0 110.601 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.491 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.8 OUTLIER -113.0 168.69 9.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.996 179.471 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.27 -43.77 90.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.09 0.471 . . . . 0.0 110.627 177.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 52.9 mp0 -58.33 -33.36 69.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.191 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.99 -36.09 79.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.612 HG13 ' HG3' ' A' ' 128' ' ' GLN . 0.2 OUTLIER -67.11 -34.82 72.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.33 -32.56 49.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.962 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.79 -30.94 65.36 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.61 HD23 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -62.29 -40.04 94.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.081 -0.56 . . . . 0.0 110.207 173.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.636 HD13 HD22 ' A' ' 121' ' ' LEU . 6.8 mm -60.7 -41.82 89.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.076 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 m -60.74 -32.28 71.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.928 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.59 -7.37 43.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.202 0.525 . . . . 0.0 111.005 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.78 -42.04 5.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 172.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -65.65 -47.72 74.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.191 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -72.38 -21.43 61.29 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.132 0.491 . . . . 0.0 109.886 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -68.73 -37.79 79.7 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.91 -22.38 66.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.15 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -84.6 -29.0 26.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.076 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -19.35 47.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.035 0.445 . . . . 0.0 110.756 175.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.4 mt -57.69 -52.27 75.57 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.525 -176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 11.8 Cg_endo -55.77 -35.97 94.42 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.174 1.916 . . . . 0.0 112.883 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -77.61 -42.89 33.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.792 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.68 -33.9 73.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.975 0.417 . . . . 0.0 110.837 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 8.8 t70 -61.76 -38.23 87.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.317 0.58 . . . . 0.0 110.01 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -60.2 -45.93 91.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.364 176.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.85 -38.92 90.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.219 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.03 -41.35 92.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.694 0.283 . . . . 0.0 110.732 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -74.86 -37.36 62.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.699 0.285 . . . . 0.0 110.411 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.21 -21.28 64.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.701 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.651 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -85.4 -38.28 12.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.72 -31.26 72.16 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.234 173.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.6 99.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.407 177.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 71' ' ' ILE . 23.6 mt -62.24 -44.05 98.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.576 177.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.704 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -70.34 -15.11 62.83 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.905 -178.159 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -42.98 98.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -79.83 -35.0 38.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.55 176.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.601 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -82.15 4.34 23.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.902 -176.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -122.86 -24.44 4.81 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.203 176.129 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -60.77 -30.62 70.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.382 -175.354 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.534 HD11 HD11 ' A' ' 89' ' ' LEU . 2.0 pp -71.28 -27.14 28.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.388 0.613 . . . . 0.0 110.809 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.504 ' HB2' HD12 ' A' ' 89' ' ' LEU . . . -79.12 -30.56 43.77 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 62.5 mt-10 -80.52 -21.75 41.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.392 -177.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.49 -22.85 50.63 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.335 0.588 . . . . 0.0 109.997 173.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.404 ' HB3' ' H ' ' A' ' 86' ' ' HIS . 68.8 m-80 -105.3 -148.32 0.4 Allowed 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 177.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.404 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 1.2 m170 -138.88 38.47 2.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.368 0.604 . . . . 0.0 109.795 174.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.559 HD11 ' HG ' ' A' ' 89' ' ' LEU . 4.2 pt -90.27 -179.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.67 -177.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -128.19 86.07 2.42 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.715 -178.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.559 ' HG ' HD11 ' A' ' 87' ' ' ILE . 10.6 mt -77.36 -14.64 59.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 177.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.03 101.78 0.73 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.292 176.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.55 -4.29 50.61 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 m -113.93 30.81 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.19 0.519 . . . . 0.0 111.162 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 96' ' ' THR . 2.3 m-20 -81.25 124.42 80.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.75 176.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -81.37 -29.22 1.98 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.935 2.424 . . . . 0.0 114.008 -169.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.601 ' CD2' HD13 ' A' ' 15' ' ' LEU . 4.5 m-30 -108.33 -47.62 3.49 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.335 -173.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.689 ' CG2' HG22 ' A' ' 98' ' ' VAL . 0.9 OUTLIER -128.67 109.43 11.33 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.311 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.5 m -62.38 -34.64 77.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.926 -171.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.689 HG22 ' CG2' ' A' ' 96' ' ' THR . 2.7 m -45.08 136.85 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -175.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.683 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -94.8 167.77 12.47 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.534 174.173 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.704 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 21.7 Cg_endo -59.46 -32.04 95.73 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.357 2.038 . . . . 0.0 111.582 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -74.74 -31.88 61.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.782 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.572 HG12 ' OG1' ' A' ' 99' ' ' THR . 2.0 mm -56.13 -52.04 55.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.557 178.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -80.54 -32.23 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.859 -175.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -74.17 -46.38 42.56 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.154 -0.219 . . . . 0.0 111.309 -177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.2 m -70.37 -31.05 68.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.706 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 1.1 mttm -64.36 -42.8 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.628 ' HE3' ' HE2' ' A' ' 28' ' ' MET . 64.1 t-105 -58.82 -43.08 90.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.239 176.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.86 -43.72 90.89 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 10.7 mmtt -65.22 -33.81 76.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.522 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 26.0 t -63.54 -45.68 97.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.527 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -61.76 -36.32 80.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.443 -178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 2.0 pp0? -84.66 -5.1 59.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.463 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.8 mt -93.71 -14.16 26.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.171 0.51 . . . . 0.0 110.362 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.495 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 79.1 t -58.12 -55.07 49.17 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.736 178.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 19.6 Cg_endo -58.73 -28.14 85.69 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.495 2.13 . . . . 0.0 113.262 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -67.08 -57.27 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.179 0.514 . . . . 0.0 110.264 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -68.08 -24.25 65.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.591 179.705 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.98 -41.04 91.16 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.303 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -78.28 -41.25 34.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.046 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 124' ' ' GLU . . . -60.43 -40.79 92.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.349 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.636 HD22 HD13 ' A' ' 51' ' ' ILE . 15.3 mt -67.56 -51.05 55.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.168 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -59.92 -44.68 94.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.501 -177.213 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -40.19 95.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.875 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 120' ' ' ALA . 0.3 OUTLIER -71.88 -42.23 67.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.423 -178.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -25.45 64.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.766 0.317 . . . . 0.0 110.642 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.1 m -80.65 -13.85 58.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.992 0.425 . . . . 0.0 110.231 176.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -87.49 -2.06 58.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.997 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.612 ' HG3' HG13 ' A' ' 47' ' ' ILE . 8.2 mm-40 -103.58 -141.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.478 -179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.431 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 49.3 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.608 -175.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.805 -0.518 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.95 93.89 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.016 0.436 . . . . 0.0 110.661 178.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.702 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.48 -35.13 73.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.892 -175.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -62.03 -16.78 54.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.76 0.314 . . . . 0.0 111.589 -174.098 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -97.66 -26.49 14.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.065 0.459 . . . . 0.0 110.052 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.561 ' O ' HG12 ' A' ' 10' ' ' ILE . 3.0 mt-30 -80.02 -29.45 39.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.822 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 3' ' ' THR . 9.2 mt -79.91 -44.9 19.56 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.337 178.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 1.2 tp10 -69.41 -39.52 77.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.361 -174.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.57 -30.55 70.2 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.257 0.551 . . . . 0.0 110.439 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.561 HG12 ' O ' ' A' ' 6' ' ' GLN . 1.0 OUTLIER -99.66 -2.56 9.7 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.859 -179.031 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -77.42 -32.63 54.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.432 HE21 HD23 ' A' ' 15' ' ' LEU . 1.1 mp0 -61.47 -34.59 75.71 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 170.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -66.19 -48.74 69.69 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.142 -0.936 . . . . 0.0 109.977 172.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -50.05 -38.07 36.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.974 175.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.647 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -59.46 -48.45 81.6 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.509 177.382 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.08 -30.02 69.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 0.0 110.125 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.6 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 5.1 t80 -67.32 -51.83 47.72 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.3 -25.44 66.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.467 -176.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -29.78 55.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.033 0.444 . . . . 0.0 111.004 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.78 ' HB3' HD11 ' A' ' 71' ' ' ILE . 1.8 mtp85 -97.52 -32.65 11.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -70.88 -16.82 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.705 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.831 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -71.93 -57.42 3.99 Favored Pre-proline 0 CA--C 1.532 0.266 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.256 -177.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.831 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 19.6 Cg_exo -66.51 -30.61 43.23 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 121.906 1.737 . . . . 0.0 111.321 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' HE2' ' HB3' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -66.64 -41.88 87.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.288 177.211 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.9 t-20 -74.4 -21.73 59.5 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.165 0.507 . . . . 0.0 110.284 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.69 -40.99 63.22 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -66.64 -50.75 61.96 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.192 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.498 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 8.8 mmt -50.87 -50.88 56.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.855 -178.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.28 -44.5 83.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.955 -176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -71.58 -36.46 70.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.902 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.29 -45.06 57.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.82 0.343 . . . . 0.0 111.241 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.438 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 3.6 ttt -64.45 -33.49 76.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.132 0.491 . . . . 0.0 110.246 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.44 -46.64 47.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.984 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.85 -42.09 97.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.549 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mp -74.61 -21.33 59.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.399 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.438 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -90.67 -32.56 16.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.167 0.508 . . . . 0.0 110.821 179.356 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -63.22 131.72 49.34 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.073 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.9 mmt -77.86 100.81 6.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.632 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -61.46 133.4 55.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.16 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 tp -108.39 133.74 52.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.137 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG21 HG12 ' A' ' 47' ' ' ILE . 19.0 m -126.73 156.75 37.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.543 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -123.81 -51.19 1.82 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.612 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -111.94 174.34 5.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.95 -176.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.507 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -74.4 -26.57 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.456 -178.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.612 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 2.2 mp0 -58.51 -47.77 83.03 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.226 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 3.6 mt-10 -74.08 -29.66 61.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.303 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.605 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -66.11 -39.12 83.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -68.09 -40.69 82.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.199 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.67 -31.58 65.02 Favored Glycine 0 CA--C 1.509 -0.302 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -58.32 -43.31 88.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.861 -0.67 . . . . 0.0 110.397 173.594 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.605 HG12 ' O ' ' A' ' 47' ' ' ILE . 5.5 mm -64.74 -45.23 95.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.155 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -32.74 71.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.758 0.313 . . . . 0.0 111.188 -178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.34 -31.72 73.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.115 0.483 . . . . 0.0 110.916 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -85.13 -30.18 24.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.284 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.22 -51.3 69.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.691 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -69.64 -20.49 63.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.464 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -66.18 -38.53 88.25 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.877 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.615 ' HE3' HD12 ' A' ' 61' ' ' LEU . 9.9 mmmm -69.15 -14.5 63.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.078 176.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m -94.14 -27.69 16.09 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.615 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -22.66 38.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.613 176.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.6 mt -55.4 -59.29 11.53 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.979 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.58 -29.65 90.41 Favored 'Trans proline' 0 C--N 1.358 1.03 0 C-N-CA 122.04 1.827 . . . . 0.0 112.494 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -71.36 -52.75 16.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.294 0.568 . . . . 0.0 110.151 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 68' ' ' ARG . . . -71.72 -32.65 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.391 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 26.6 t70 -62.27 -39.22 92.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.149 0.5 . . . . 0.0 110.753 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -72.34 -37.99 68.73 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.107 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -37.42 85.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.246 -175.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -62.88 -37.51 87.21 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.315 179.286 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.12 -35.44 64.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.88 0.372 . . . . 0.0 110.445 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.26 -22.9 61.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.561 . . . . 0.0 110.712 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.78 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -83.18 -36.84 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' A' ' 72' ' ' LEU . 0.4 OUTLIER -66.41 -25.06 66.58 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.497 171.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.52 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -71.54 -45.3 62.73 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.892 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.6 mt -63.53 -39.14 84.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.769 0.795 . . . . 0.0 109.52 175.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.6 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 1.7 t60 -72.81 -14.59 61.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.108 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -65.36 -45.49 83.96 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.212 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -79.19 -32.46 44.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.166 0.508 . . . . 0.0 110.131 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.11 1.69 42.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.821 -176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.11 -40.5 2.5 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 174.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -26.11 68.46 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.168 -174.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.438 HG12 HG21 ' A' ' 10' ' ' ILE . 1.9 pp -62.51 -42.84 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 121.178 0.513 . . . . 0.0 109.861 175.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.593 ' HA ' ' ND2' ' A' ' 85' ' ' ASN . . . -77.29 -39.88 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.175 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -67.6 -7.22 24.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.753 0.311 . . . . 0.0 111.273 -178.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.4 m -109.03 2.52 21.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.618 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.593 ' ND2' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -152.31 -153.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -179.467 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -75.41 88.76 2.62 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.615 0.245 . . . . 0.0 110.413 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.584 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -41.07 119.13 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.582 170.742 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.44 60.65 0.76 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.333 0.587 . . . . 0.0 110.396 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.432 ' HB2' ' H ' ' A' ' 90' ' ' SER . 0.0 OUTLIER -138.62 -95.85 0.18 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.441 178.18 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.432 ' H ' ' HB2' ' A' ' 89' ' ' LEU . 0.9 OUTLIER 45.05 50.51 9.21 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 123.812 0.695 . . . . 0.0 112.509 175.009 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.81 -26.74 13.41 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.355 -0.926 . . . . 0.0 112.347 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 m -87.09 59.2 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.177 0.513 . . . . 0.0 110.989 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -90.32 124.05 63.99 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.82 -56.78 0.07 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.567 2.178 . . . . 0.0 113.896 -171.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.647 ' HE2' HD22 ' A' ' 15' ' ' LEU . 2.8 m-85 -101.22 -44.59 5.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.084 0.469 . . . . 0.0 110.842 -171.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.838 HG23 HG13 ' A' ' 98' ' ' VAL . 0.8 OUTLIER -122.96 115.21 21.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.6 0.715 . . . . 0.0 110.121 -177.036 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.1 m -80.18 -29.64 38.7 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.171 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.838 HG13 HG23 ' A' ' 96' ' ' THR . 0.5 OUTLIER -48.44 128.45 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.87 177.088 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.614 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -104.78 163.38 17.32 Favored Pre-proline 0 N--CA 1.446 -0.671 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.333 -179.264 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.614 ' HD2' HG22 ' A' ' 99' ' ' THR . 11.1 Cg_endo -54.8 -39.55 89.25 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.879 2.386 . . . . 0.0 111.997 178.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -68.18 -40.94 82.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.191 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -56.6 -34.9 43.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 178.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.4 -36.28 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.59 -41.52 26.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.568 0.223 . . . . 0.0 111.407 -176.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.6 m -69.97 -33.45 72.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.688 0.28 . . . . 0.0 110.454 179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.498 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -65.59 -43.42 89.74 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.218 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.491 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.4 t-105 -56.0 -45.92 78.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.107 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -34.2 71.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.475 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 1.3 mttm -80.72 -36.74 31.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.643 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.0 t -62.68 -44.1 99.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.532 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 3.9 mm100 -57.81 -47.7 81.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.742 -177.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 1.4 pt20 -71.63 -14.33 62.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.328 -177.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.3 mt -84.41 -19.28 33.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.029 0.442 . . . . 0.0 110.295 176.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.703 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 87.7 t -61.38 -54.81 49.32 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.989 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.703 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 38.5 Cg_exo -61.74 -36.97 71.37 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.278 1.985 . . . . 0.0 112.204 178.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' A' ' 112' ' ' GLN . 12.7 mttm -58.67 -50.6 73.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.341 0.591 . . . . 0.0 110.189 177.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -68.21 -34.26 75.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.597 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -63.94 -32.42 73.94 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.994 0.426 . . . . 0.0 110.549 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -86.74 -41.54 14.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.238 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.18 -42.11 90.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.423 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 50' ' ' LEU . 31.0 mt -62.8 -50.58 70.44 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.446 178.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.495 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -58.38 -44.48 88.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.16 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -60.12 -46.49 89.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.602 0.239 . . . . 0.0 110.849 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.403 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -70.87 -41.85 70.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.777 -177.262 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.495 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -69.05 -23.38 64.04 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.842 -178.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.6 m -86.81 -12.18 48.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.944 0.402 . . . . 0.0 110.745 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -19.86 52.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.118 0.485 . . . . 0.0 109.752 175.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -92.52 -145.18 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.974 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.36 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.954 -0.458 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -74.63 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.803 0.335 . . . . 0.0 111.359 -177.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.671 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -130.8 -27.48 2.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.761 0.315 . . . . 0.0 111.743 -175.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.616 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -63.58 -19.61 64.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.994 -174.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 -28.98 17.81 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 178.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.407 ' O ' HG23 ' A' ' 10' ' ' ILE . 31.4 mt-30 -67.13 -39.91 86.7 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 3' ' ' THR . 6.5 mt -71.57 -39.8 70.37 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.422 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -65.95 -38.04 87.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.411 -179.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.06 -41.28 64.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.683 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.465 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.8 pp -77.25 -16.59 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.294 -176.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 20.5 t70 -80.39 -24.72 39.52 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.106 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -82.01 -13.93 56.68 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.359 176.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.465 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 1.4 pp -102.56 -2.54 28.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 168.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -64.49 -36.22 83.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.473 175.044 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.91 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -80.08 -17.62 52.17 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.412 -179.416 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.401 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.57 -43.01 91.14 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.394 172.085 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' CD1' HG21 ' A' ' 96' ' ' THR . 2.7 t80 -57.95 -49.44 76.78 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.596 -0.891 . . . . 0.0 108.596 171.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.741 ' HB2' ' HB ' ' A' ' 96' ' ' THR . . . -61.25 -30.13 70.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.907 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.39 -29.0 59.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.689 0.28 . . . . 0.0 111.119 -176.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 -95.82 -37.28 10.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.041 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -69.82 -19.05 63.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.246 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.491 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -69.24 -59.58 4.93 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.392 -176.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 45.1 Cg_endo -69.47 -25.23 30.16 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 121.226 1.284 . . . . 0.0 111.261 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.689 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.9 t80 -69.21 -41.2 77.4 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.347 178.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -68.68 -33.08 73.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.174 0.511 . . . . 0.0 110.062 178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.06 -36.21 72.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.386 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.9 t90 -69.36 -49.17 58.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.063 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.636 ' HE1' HG13 ' A' ' 103' ' ' ILE . 17.0 mtm -60.14 -43.04 96.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.364 -176.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -65.47 -42.49 92.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.637 0.256 . . . . 0.0 110.579 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.5 m -66.81 -41.3 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.345 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 35' ' ' LEU . . . -65.12 -46.86 79.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.579 ' HE1' ' HG3' ' A' ' 106' ' ' LYS . 19.2 ttm -59.95 -35.41 74.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.803 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.54 -48.65 25.69 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.641 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -71.39 -31.79 67.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 -175.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 3.8 mp -77.04 -28.62 54.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.961 -178.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -78.68 -39.26 37.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.056 -179.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -78.14 154.33 31.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.655 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.7 ttp -79.45 168.49 19.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.506 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -124.87 124.24 41.66 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.14 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -86.63 130.64 36.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.157 0.503 . . . . 0.0 109.701 175.075 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.451 HG12 HD23 ' A' ' 50' ' ' LEU . 28.7 m -126.45 149.19 31.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.394 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -111.65 -46.99 3.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.215 0.531 . . . . 0.0 110.169 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.527 ' HB ' ' HG3' ' A' ' 45' ' ' GLU . 1.2 p -134.33 170.33 15.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.682 -174.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.513 ' HA ' ' HB ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -59.91 -33.72 53.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.953 0.406 . . . . 0.0 110.615 178.379 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' HG3' ' HB ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -50.59 -38.94 48.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.347 176.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.85 -32.69 27.35 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 120.908 0.385 . . . . 0.0 110.563 177.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.722 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -62.34 -41.91 93.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.171 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.04 -28.64 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.112 0.482 . . . . 0.0 110.094 -178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.17 -38.2 54.63 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.443 -1.063 . . . . 0.0 110.443 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -58.25 -46.19 86.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.693 -0.754 . . . . 0.0 110.955 174.65 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.722 HG12 ' O ' ' A' ' 47' ' ' ILE . 4.2 mm -64.37 -40.62 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.362 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.5 m -58.26 -35.52 71.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.981 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . -65.24 -19.11 65.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.005 0.431 . . . . 0.0 111.14 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.75 -29.82 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -64.86 -50.66 65.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.401 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' HB2' HE21 ' A' ' 56' ' ' GLN . 0.8 OUTLIER -68.81 -24.64 64.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.878 177.251 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 31.9 t80 -69.95 -44.72 68.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.262 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.687 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -61.16 -20.06 62.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.569 175.013 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -92.76 -28.25 16.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.161 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -21.52 27.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.801 0.334 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.687 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.8 mt -54.34 -55.73 34.08 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.682 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.508 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 33.8 Cg_exo -58.27 -28.87 85.98 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.054 1.836 . . . . 0.0 112.433 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.54 -53.77 9.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.282 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.6 -29.92 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.103 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.482 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 30.4 t70 -63.03 -47.89 81.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.765 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.49 -27.1 63.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.438 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.11 -41.28 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.689 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -63.12 -38.79 92.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.043 0.449 . . . . 0.0 110.181 177.29 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -42.28 94.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.935 175.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.71 -16.3 63.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.211 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.442 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -83.9 -39.04 14.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.474 ' O ' ' HD2' ' A' ' 75' ' ' HIS . 34.1 mt -68.53 -27.06 65.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.286 173.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.41 -33.94 77.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.525 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 71' ' ' ILE . 20.8 mt -71.85 -41.81 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.602 0.715 . . . . 0.0 110.006 175.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.474 ' HD2' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -72.78 -14.75 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.432 -177.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -40.23 90.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.567 0.222 . . . . 0.0 110.627 -178.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.434 ' HA ' ' HG2' ' A' ' 80' ' ' ARG . 61.2 mm-40 -81.04 -33.84 33.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.143 0.497 . . . . 0.0 110.447 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.49 -6.14 59.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.845 -174.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.61 -37.17 5.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.211 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 12.8 ptt85 -60.21 -35.22 74.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.912 -178.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 2.2 pp -63.41 -35.48 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.295 0.569 . . . . 0.0 110.14 177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.72 49.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.66 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -76.49 -21.27 56.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.81 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 m -81.46 -20.2 40.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.195 0.521 . . . . 0.0 110.266 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.491 HD21 HG21 ' A' ' 3' ' ' THR . 29.4 m-80 -104.42 -159.04 0.69 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.53 44.31 2.54 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 171.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.418 HG23 ' HB3' ' A' ' 85' ' ' ASN . 1.8 pt -83.03 -179.55 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.782 -174.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.91 88.92 2.84 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.939 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.73 -31.73 64.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.009 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.68 105.84 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.718 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.46 -12.02 33.22 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.759 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.452 ' O ' ' HD3' ' A' ' 94' ' ' PRO . 1.3 m -108.92 17.94 21.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.47 0.652 . . . . 0.0 109.97 178.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.62 99.39 13.2 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.206 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 92' ' ' SER . 95.3 Cg_endo -83.09 -41.34 0.1 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.732 2.288 . . . . 0.0 113.333 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.467 ' CE2' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -97.15 -55.36 2.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.954 0.407 . . . . 0.0 110.232 -175.006 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.741 ' HB ' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -119.59 134.83 55.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.399 -176.379 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 m -103.68 -27.53 12.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.461 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.461 HG21 ' HB1' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -43.83 105.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 114.456 -1.247 . . . . 0.0 112.878 -179.642 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.842 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -82.89 161.15 59.12 Favored Pre-proline 0 N--CA 1.448 -0.543 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.925 177.443 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.842 ' HD2' HG22 ' A' ' 99' ' ' THR . 10.2 Cg_endo -51.43 -42.29 55.8 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.844 2.363 . . . . 0.0 112.535 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -69.4 -34.26 74.23 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.511 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.3 mp -68.1 -44.74 84.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.636 HG13 ' HE1' ' A' ' 28' ' ' MET . 0.3 OUTLIER -75.49 -32.5 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.11 -178.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -72.25 -49.9 31.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.393 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 42.1 m -58.12 -34.91 70.73 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.983 176.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.601 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -63.68 -48.57 76.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.349 177.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.482 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 71.9 t-105 -59.82 -41.84 92.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.568 176.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.15 -38.24 85.73 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.38 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -41.02 91.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.718 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.07 -43.26 97.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.619 177.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -59.84 -45.85 91.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.797 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.0 -1.34 28.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.286 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 9.2 mt -100.52 -14.74 18.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.988 0.423 . . . . 0.0 110.349 176.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.785 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 98.6 t -60.71 -58.31 20.19 Favored Pre-proline 0 CA--C 1.534 0.327 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.607 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.785 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 24.8 Cg_exo -64.29 -36.2 47.1 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.324 2.016 . . . . 0.0 112.28 -178.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -47.95 83.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.127 0.489 . . . . 0.0 110.426 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.412 HH12 HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -72.17 -31.27 65.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.046 179.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -67.36 -32.27 73.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.156 0.503 . . . . 0.0 109.807 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.482 ' O ' ' HG2' ' A' ' 123' ' ' GLU . 5.1 t-160 -68.45 -50.13 54.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.268 -178.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 124' ' ' GLU . . . -61.02 -36.67 80.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.702 -178.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.59 HD22 HD13 ' A' ' 51' ' ' ILE . 23.6 mt -68.29 -47.8 66.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.242 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.6 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 14.8 mt -66.37 -41.95 88.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.866 -175.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 119' ' ' HIS . 18.0 pt-20 -74.54 -23.13 58.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.731 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 120' ' ' ALA . 0.0 OUTLIER -78.75 -44.46 23.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.664 0.269 . . . . 0.0 110.331 176.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.6 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.4 OUTLIER -67.23 -24.95 65.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.646 179.211 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 64.6 m -80.1 -21.47 43.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -5.9 58.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.482 0.658 . . . . 0.0 109.963 175.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.633 ' HG3' HG13 ' A' ' 47' ' ' ILE . 19.0 mm-40 -100.78 -152.74 0.43 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.683 175.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.045 -0.979 . . . . 0.0 109.577 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.77 -50.01 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.944 0.402 . . . . 0.0 111.231 -178.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.444 ' HA ' ' OE1' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -56.89 -36.4 70.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.051 -176.59 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.487 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -74.1 -4.16 33.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.737 -176.596 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.1 -30.13 9.94 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 176.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.444 ' OE1' ' HA ' ' A' ' 3' ' ' THR . 51.2 mt-30 -65.81 -43.32 88.99 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.296 173.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.766 ' HB2' HD23 ' A' ' 89' ' ' LEU . 2.9 pp -77.58 -27.26 51.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.664 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 2.6 tt0 -72.79 -37.76 67.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.405 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.69 -41.01 75.99 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.188 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.596 HD11 HD21 ' A' ' 89' ' ' LEU . 1.5 pp -76.23 -16.55 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.968 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.1 t0 -75.42 -25.11 57.26 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 174.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -72.86 -39.07 66.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.235 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -83.18 -6.51 59.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.009 0.433 . . . . 0.0 110.167 175.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.666 ' CD2' ' HB1' ' A' ' 78' ' ' ALA . 1.0 OUTLIER -63.77 -25.68 68.29 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 172.148 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.9 OUTLIER -65.24 -32.27 73.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -65.06 -34.47 78.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.933 0.397 . . . . 0.0 110.395 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' CE1' HG23 ' A' ' 98' ' ' VAL . 1.2 t80 -64.7 -48.14 75.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 175.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.46 -17.58 62.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.785 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 -27.69 17.68 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -102.53 -33.94 9.3 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.882 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -74.83 -16.98 60.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.725 0.297 . . . . 0.0 110.214 177.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.65 -58.78 9.2 Favored Pre-proline 0 CA--C 1.53 0.21 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 26' ' ' ASN . 37.7 Cg_endo -65.8 -27.65 51.71 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.515 1.477 . . . . 0.0 111.48 177.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -65.22 -44.84 86.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.176 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -75.11 -21.2 59.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.48 0.657 . . . . 0.0 110.156 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.452 ' HB2' ' HA ' ' A' ' 23' ' ' PRO . 2.5 m-80 -71.32 -44.34 65.31 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.6 t90 -63.24 -48.21 79.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.988 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mtt -49.57 -54.27 19.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.603 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -66.35 -47.09 74.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.66 -175.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 m -66.74 -26.79 67.16 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.362 -176.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.8 -49.6 6.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.633 0.254 . . . . 0.0 111.62 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.85 -35.4 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.181 -176.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -73.7 -34.18 64.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.315 -178.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.82 -38.96 83.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.316 0.579 . . . . 0.0 109.516 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD23 ' HB3' ' A' ' 113' ' ' LEU . 4.3 mp -71.14 -32.47 69.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.69 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -36.88 55.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.158 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -70.61 167.23 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.248 -178.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.48 137.41 35.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.218 -178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -101.18 130.07 47.21 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.267 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 tp -99.88 129.0 51.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.935 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.539 HG12 HD23 ' A' ' 50' ' ' LEU . 34.9 m -126.67 137.98 56.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.238 0.542 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -117.73 -41.11 2.95 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.064 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.463 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 10.7 p -122.66 164.87 17.45 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.556 -178.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.495 HG23 ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -66.79 -30.37 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.377 179.147 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.495 ' OE2' HG23 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -48.82 -47.65 42.16 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.746 176.658 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.57 -33.63 66.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.626 0.25 . . . . 0.0 110.691 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.42 -35.2 74.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.327 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.88 -33.55 74.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.172 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.14 -46.33 5.63 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 120.688 -0.768 . . . . 0.0 111.696 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD23 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -51.27 -46.06 62.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.049 0.54 . . . . 0.0 111.434 176.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.608 HG12 ' HB3' ' A' ' 121' ' ' LEU . 31.1 mt -74.05 -32.1 31.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.215 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' A' ' 55' ' ' ASP . 17.2 m -64.12 -24.1 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.049 0.452 . . . . 0.0 110.729 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.52 0.48 14.68 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.67 0.748 . . . . 0.0 110.678 175.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -114.45 -36.63 4.55 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 171.036 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' HB3' ' HA ' ' A' ' 52' ' ' SER . 13.1 t0 -48.46 -59.47 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.659 173.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -87.92 2.28 51.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.417 ' HB2' ' HA ' ' A' ' 54' ' ' HIS . 7.4 t80 -74.54 -34.97 63.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.58 ' HE2' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -64.96 -20.28 66.4 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.772 174.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.97 -32.69 16.68 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.866 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.3 -28.69 57.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.012 0.434 . . . . 0.0 111.418 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.58 HD12 ' HE2' ' A' ' 58' ' ' LYS . 3.7 mt -60.3 -53.82 61.11 Favored Pre-proline 0 C--O 1.22 -0.465 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 13.2 Cg_endo -56.98 -36.17 99.16 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.996 1.797 . . . . 0.0 112.529 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -73.99 -47.48 36.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.177 -179.239 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 67' ' ' GLU . . . -67.61 -29.54 68.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -41.94 95.12 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -32.28 73.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.977 0.418 . . . . 0.0 110.186 176.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 64' ' ' ALA . 70.8 mm-40 -58.96 -45.24 91.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.282 176.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -26.6 68.41 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 120.769 0.319 . . . . 0.0 110.739 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.21 -40.53 19.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.953 0.406 . . . . 0.0 110.529 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.59 -20.4 61.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.108 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.533 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -86.96 -34.43 7.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -179.552 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.498 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -65.76 -29.41 69.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.01 171.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.401 ' HA ' ' HG3' ' A' ' 76' ' ' LYS . . . -65.97 -38.26 88.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 71' ' ' ILE . 12.7 mt -66.2 -41.36 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.397 0.618 . . . . 0.0 110.092 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.672 ' HA ' ' HB3' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -78.03 -5.8 52.53 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.143 -177.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 72' ' ' LEU . 3.5 mmmt -59.96 -55.68 31.09 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.982 0.42 . . . . 0.0 110.15 175.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.25 -28.73 42.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.74 0.781 . . . . 0.0 109.516 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.672 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -82.59 -1.25 50.27 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.228 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -124.33 -44.74 1.99 Allowed 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 120.378 -0.529 . . . . 0.0 112.166 177.04 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.905 ' HA ' ' HG3' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -53.88 -29.22 40.72 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.6 pp -56.9 -42.97 79.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.048 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.473 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.61 -16.62 44.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.453 0.644 . . . . 0.0 110.419 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.905 ' HG3' ' HA ' ' A' ' 80' ' ' ARG . 1.4 mt-10 -80.09 -29.53 39.1 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.541 175.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.7 m -81.36 -44.92 16.89 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.287 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.89 134.45 53.54 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -73.62 65.89 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 123.466 0.479 . . . . 0.0 111.756 -172.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.1 pt -96.37 169.54 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.46 93.4 2.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.562 178.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.766 HD23 ' HB2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -48.47 -78.97 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.01 177.441 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.437 ' H ' ' HB2' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -116.3 -68.84 0.89 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.245 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -159.37 -105.46 0.21 Allowed Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.99 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.55 -31.19 13.43 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 96' ' ' THR . 16.4 p-10 -140.43 137.23 17.43 Favored Pre-proline 0 N--CA 1.454 -0.268 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.834 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.405 ' HG3' ' ND1' ' A' ' 14' ' ' HIS . 73.0 Cg_endo -81.67 -49.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.259 1.972 . . . . 0.0 111.947 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.561 ' CD2' HD13 ' A' ' 15' ' ' LEU . 11.5 m-85 -131.09 -42.46 1.09 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.026 0.441 . . . . 0.0 110.188 -175.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.514 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 4.6 t -116.02 134.24 55.17 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.944 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.5 m -77.51 -25.86 50.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.502 -173.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.419 HG21 ' HB1' ' A' ' 21' ' ' ALA . 15.1 m -54.06 112.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.399 0.619 . . . . 0.0 112.319 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.435 ' HB ' ' HD2' ' A' ' 100' ' ' PRO . 16.1 p -94.82 160.26 31.58 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.992 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 10.5 Cg_endo -54.19 -36.57 86.2 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.011 2.474 . . . . 0.0 112.312 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -75.84 -41.07 53.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.687 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -61.7 -40.59 87.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.317 . . . . 0.0 110.278 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -76.67 -31.87 20.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.403 -178.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.4 t-20 -76.74 -50.17 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.063 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 m -60.38 -40.01 89.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.402 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 2.8 mmtt -64.25 -41.59 96.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.908 0.385 . . . . 0.0 110.329 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -59.44 -42.63 92.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.27 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -58.75 -35.55 72.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.319 0.58 . . . . 0.0 110.899 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -74.57 -39.79 62.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.317 179.424 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 106' ' ' LYS . 73.9 t -55.84 -45.01 79.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.598 174.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -61.4 -40.51 94.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.281 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 4.5 pt20 -72.98 -25.29 60.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.918 0.389 . . . . 0.0 111.245 -177.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.473 ' HB3' HD23 ' A' ' 35' ' ' LEU . 1.5 mt -75.92 -18.88 59.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.733 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.891 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 57.6 t -61.23 -61.51 7.79 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.016 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.891 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 29.2 Cg_exo -62.84 -26.6 74.75 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.438 2.092 . . . . 0.0 112.233 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.45 -56.14 14.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.472 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.74 -30.57 68.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.466 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 114' ' ' VAL . 0.4 OUTLIER -57.38 -38.26 73.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.203 0.525 . . . . 0.0 110.457 177.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -76.68 -32.13 57.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.581 -175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.12 -40.41 71.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.196 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.608 ' HB3' HG12 ' A' ' 51' ' ' ILE . 16.2 mt -67.32 -45.42 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.787 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.443 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 1.7 mm? -72.91 -14.06 61.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.478 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -24.71 20.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.024 0.44 . . . . 0.0 110.371 175.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -88.65 -46.01 9.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.184 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.443 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -61.76 -26.8 68.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.51 -177.163 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -12.15 61.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.592 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -89.81 -4.28 57.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.144 0.497 . . . . 0.0 110.591 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -95.03 -133.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.454 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.609 -178.505 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.895 0 N-CA-C 112.034 -0.426 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.19 94.74 0.16 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.223 0.535 . . . . 0.0 110.067 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.659 ' HA ' ' HG2' ' A' ' 6' ' ' GLN . 0.3 OUTLIER -84.04 -12.87 54.48 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -169.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -10.15 59.41 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.747 -0.381 . . . . 0.0 111.463 -171.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -114.0 -29.13 7.11 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.668 175.554 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.659 ' HG2' ' HA ' ' A' ' 3' ' ' THR . 3.6 pt20 -88.0 -15.67 35.8 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.319 -0.553 . . . . 0.0 110.703 -175.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -96.32 -37.39 10.52 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 173.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.477 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 3.3 tp10 -68.47 -40.83 80.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.906 -176.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.15 -35.75 69.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.678 -176.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.613 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 1.2 pp -83.23 -15.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.259 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 3.2 t0 -79.34 -27.11 42.05 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 174.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -71.67 -34.97 70.15 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.489 174.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.613 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 1.5 pp -88.06 -8.76 55.05 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.05 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.7 OUTLIER -61.3 -29.87 70.14 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 170.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.626 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.6 OUTLIER -64.08 -37.13 86.33 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.6 175.191 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.14 -34.51 77.77 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 120.964 0.412 . . . . 0.0 110.289 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -65.6 -48.49 72.14 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 175.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.611 ' HA ' HG21 ' A' ' 96' ' ' THR . . . -69.39 -22.0 63.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.589 -178.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -38.08 56.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.613 0.244 . . . . 0.0 111.07 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.62 ' HB3' HD11 ' A' ' 71' ' ' ILE . 8.1 mtt85 -89.88 -36.2 15.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.597 -177.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.719 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -68.75 -17.79 64.11 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.931 178.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.806 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -69.0 -56.78 8.47 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.356 -177.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 17.0 Cg_exo -66.39 -28.93 46.18 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.951 1.767 . . . . 0.0 111.47 176.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -42.01 86.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.337 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 2.1 t-20 -68.38 -31.31 70.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.569 0.699 . . . . 0.0 110.024 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.77 -22.75 53.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.233 -178.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -87.64 -52.03 5.55 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.091 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.471 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -57.74 -46.01 85.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.857 -176.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.67 -41.59 97.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.607 0.241 . . . . 0.0 111.407 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 m -77.45 -25.14 50.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.002 0.429 . . . . 0.0 110.846 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' O ' HD13 ' A' ' 35' ' ' LEU . . . -83.49 -48.12 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.406 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.528 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 0.5 OUTLIER -64.09 -29.84 70.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.837 -177.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.29 -39.59 74.77 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.7 -40.36 95.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.371 0.605 . . . . 0.0 110.213 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.728 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 8.3 mp -74.72 -23.35 58.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.962 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -91.89 -32.52 15.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.961 -178.342 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -76.77 176.15 8.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.456 0.646 . . . . 0.0 111.931 -174.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.9 tpt -109.12 142.02 40.47 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.479 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -113.66 127.52 56.08 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.573 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 40' ' ' ILE . 6.5 tp -105.52 120.83 56.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.856 0.836 . . . . 0.0 110.099 173.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.58 HG11 HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.61 96.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.695 -178.316 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -86.81 -32.58 20.24 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.91 143.97 39.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.191 -174.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -35.83 74.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.005 -176.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -34.23 59.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.588 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -79.78 -37.19 35.85 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.454 HD11 HG21 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -59.99 -36.79 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.831 0.348 . . . . 0.0 110.441 -177.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -81.96 6.83 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.313 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -123.48 -35.0 0.72 Allowed Glycine 0 N--CA 1.455 -0.086 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.58 HD12 HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -67.69 -49.1 64.45 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 124.437 1.095 . . . . 0.0 110.47 178.518 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.668 HD11 ' HB3' ' A' ' 125' ' ' GLN . 29.0 mt -63.39 -40.96 91.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.48 -31.1 69.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.396 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.28 -25.7 66.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.074 0.464 . . . . 0.0 110.717 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -97.7 -13.69 21.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.36 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -78.77 -48.55 14.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.713 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.53 -13.32 58.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.257 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -59.89 -37.63 79.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.449 175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -73.42 -13.59 61.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.62 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.01 -33.85 15.37 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.698 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.1 -22.81 41.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.145 176.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.8 -60.86 6.21 Favored Pre-proline 0 N--CA 1.467 0.387 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.16 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.01 -30.04 90.67 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.006 1.804 . . . . 0.0 112.515 -176.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.4 -50.37 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.347 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.27 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.519 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.46 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 1.8 t70 -61.3 -47.62 85.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.349 177.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -37.19 84.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.371 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.24 -35.9 80.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.545 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.421 ' HD2' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -57.06 -43.34 81.95 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.585 178.798 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -29.74 57.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.859 0.361 . . . . 0.0 110.481 -179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.96 -9.8 59.01 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.146 0.498 . . . . 0.0 110.814 176.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.62 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -94.2 -39.09 10.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 178.019 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -65.65 -30.91 71.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.942 -1.027 . . . . 0.0 109.454 174.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.38 87.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.926 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 71' ' ' ILE . 33.4 mt -65.58 -42.12 92.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.28 0.562 . . . . 0.0 110.409 177.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.692 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -73.19 -16.07 61.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.932 -178.277 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -48.31 82.12 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -78.1 -30.15 49.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.974 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -87.14 -0.37 56.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.443 -175.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.539 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -116.68 -42.99 2.93 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.749 -0.38 . . . . 0.0 111.732 177.574 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -56.57 -32.61 65.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.635 -176.173 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.696 HD11 HD11 ' A' ' 89' ' ' LEU . 2.3 pp -61.31 -34.35 60.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.979 0.419 . . . . 0.0 110.923 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.41 -30.53 33.54 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.941 -178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 61.9 mt-10 -75.54 -16.76 60.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.358 -176.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -18.57 58.31 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.107 0.479 . . . . 0.0 110.604 175.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.511 ' HB2' HG23 ' A' ' 87' ' ' ILE . 3.9 m-80 -125.85 -153.97 0.6 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -133.16 43.15 2.97 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 171.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 85' ' ' ASN . 1.9 pt -80.07 168.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.395 -173.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.78 86.51 2.51 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.583 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.696 HD11 HD11 ' A' ' 81' ' ' ILE . 7.3 mt -63.85 176.19 0.99 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.648 175.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.472 ' HB2' ' HB3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -76.32 42.69 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.024 0.44 . . . . 0.0 110.942 178.156 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.85 164.43 36.98 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 -175.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.12 -29.71 69.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.352 0.596 . . . . 0.0 109.913 175.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.689 ' HB2' ' HA ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -128.91 86.74 56.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.02 179.767 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.472 ' HB3' ' HB2' ' A' ' 90' ' ' SER . 70.9 Cg_endo -78.3 -43.45 0.19 Allowed 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.555 2.17 . . . . 0.0 113.264 -176.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.626 ' HE2' HD22 ' A' ' 15' ' ' LEU . 19.9 m-30 -98.76 -47.86 5.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.002 0.43 . . . . 0.0 110.369 -174.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.611 HG21 ' HA ' ' A' ' 18' ' ' ALA . 11.9 t -122.95 127.76 49.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.689 ' HA ' ' HB2' ' A' ' 93' ' ' ASN . 6.9 m -84.26 71.25 10.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.362 0.601 . . . . 0.0 111.666 -174.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.719 HG21 ' HB1' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -134.99 82.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.849 178.287 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.732 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.2 OUTLIER -64.04 148.24 95.5 Favored Pre-proline 0 N--CA 1.449 -0.519 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.732 ' HD2' HG22 ' A' ' 99' ' ' THR . 1.3 Cg_endo -44.38 -44.87 13.02 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.467 2.778 . . . . 0.0 112.521 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -63.29 -45.26 92.2 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.092 0.472 . . . . 0.0 110.65 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.571 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.0 OUTLIER -61.25 -40.56 86.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.967 -177.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.455 ' O ' ' HE1' ' A' ' 28' ' ' MET . 0.5 OUTLIER -82.83 -32.29 9.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 120.756 -0.377 . . . . 0.0 111.348 -179.071 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 6.4 t-20 -73.03 -51.58 17.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.631 0.253 . . . . 0.0 110.438 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 32.2 m -66.18 -27.31 67.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.072 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -66.27 -47.0 75.12 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 174.168 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.46 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 57.0 t-105 -60.16 -42.27 94.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.985 175.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.4 -38.61 90.32 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.829 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -68.05 -39.72 82.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.972 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.633 ' O ' HG23 ' A' ' 114' ' ' VAL . 25.5 t -57.99 -47.61 86.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.365 176.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -57.14 -33.71 67.66 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.145 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.16 -20.57 40.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.77 0.319 . . . . 0.0 111.26 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.728 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 12.6 mt -89.26 -26.05 21.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.919 -177.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.727 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 21.6 t -55.55 -57.55 20.35 Favored Pre-proline 0 CA--C 1.534 0.339 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.727 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 32.2 Cg_exo -59.75 -31.99 94.93 Favored 'Trans proline' 0 C--N 1.358 1.076 0 C-N-CA 122.712 2.275 . . . . 0.0 112.775 -176.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -60.34 -51.35 69.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.214 0.53 . . . . 0.0 110.049 178.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -75.06 -33.7 61.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.768 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -34.08 75.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.8 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -83.01 -41.09 19.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.185 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.48 91.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.962 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.514 HD22 HG12 ' A' ' 51' ' ' ILE . 34.4 mt -67.79 -49.62 61.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.53 11.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.512 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -113.11 -40.38 3.95 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 169.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.33 -35.19 71.12 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.181 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.668 ' HB3' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -69.07 -30.7 69.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 110.269 178.358 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.485 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -76.66 -28.56 56.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.347 0.594 . . . . 0.0 110.286 177.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.24 6.97 27.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.21 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.459 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 1.3 mm-40 -95.6 -133.76 0.2 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.196 178.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.459 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.434 -178.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -48.0 81.77 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -174.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -36.73 82.63 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.227 0.537 . . . . 0.0 111.654 -175.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 1.038 ' HA ' HD23 ' A' ' 7' ' ' LEU . 2.1 mp0 -67.81 -28.89 67.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.651 -172.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HB3' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -77.2 -39.47 48.65 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 120.872 0.368 . . . . 0.0 110.244 -178.035 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.436 ' H ' ' HG2' ' A' ' 6' ' ' GLN . 2.3 pt20 -81.02 -12.08 59.42 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.886 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.038 HD23 ' HA ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -95.07 -40.19 9.75 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.476 176.078 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.609 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -73.82 -33.75 64.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.739 0.304 . . . . 0.0 111.339 -176.146 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.55 81.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.403 0.62 . . . . 0.0 109.637 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.708 HG21 HG12 ' A' ' 81' ' ' ILE . 1.1 pt -96.62 -3.2 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.57 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 2.6 t0 -76.72 -26.86 55.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.399 174.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.56 ' HA ' ' HB2' ' A' ' 15' ' ' LEU . 43.6 mm-40 -71.82 -21.07 61.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.693 172.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 77' ' ' GLU . 80.9 mt -77.9 -41.86 35.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 170.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -57.95 -32.23 67.62 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.416 172.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.594 HD23 ' CE2' ' A' ' 95' ' ' TYR . 0.0 OUTLIER -60.69 -49.32 77.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.253 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.09 -28.29 62.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.13 0.49 . . . . 0.0 110.164 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -49.92 53.27 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 96' ' ' THR . . . -72.74 -15.35 61.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.141 -178.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -40.72 37.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.678 176.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.686 ' HB3' HD11 ' A' ' 71' ' ' ILE . 2.8 mtt180 -88.85 -32.84 17.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.161 -178.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.23 65.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.921 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.91 -59.96 6.95 Favored Pre-proline 0 CA--C 1.536 0.42 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.988 -174.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.525 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 52.7 Cg_endo -71.51 -24.57 22.13 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.385 1.39 . . . . 0.0 111.747 178.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.598 ' O ' ' HG2' ' A' ' 28' ' ' MET . 1.6 t80 -65.92 -45.76 80.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.889 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 21.1 t30 -68.65 -27.27 65.85 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-O 121.267 0.556 . . . . 0.0 110.213 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -75.02 -37.3 61.82 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.697 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -65.86 -56.69 10.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.779 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.598 ' HG2' ' O ' ' A' ' 24' ' ' PHE . 7.8 ptp -65.52 -31.37 72.4 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.267 -177.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -69.46 -32.4 71.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 0.0 111.049 -179.516 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -87.72 -42.63 12.49 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.596 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -48.41 39.45 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.458 ' HG3' HG22 ' A' ' 110' ' ' VAL . 3.2 ttm -66.34 -35.83 81.36 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.31 -177.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 2.9 mt-10 -63.71 -37.01 85.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.465 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -69.61 -39.95 76.93 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.77 -36.74 79.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.796 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -88.44 -9.58 52.06 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.04 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -88.89 172.63 9.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.087 0.47 . . . . 0.0 110.859 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.74 106.05 14.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.288 0.566 . . . . 0.0 110.299 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -63.78 147.21 52.33 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.534 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 tp -118.31 134.04 63.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.737 173.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.761 HG21 HG12 ' A' ' 47' ' ' ILE . 6.2 m -126.04 163.69 27.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.891 0.377 . . . . 0.0 110.744 -176.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -123.42 -44.93 2.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.433 0.635 . . . . 0.0 109.587 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -119.47 161.51 20.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.69 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.46 HD13 ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -63.77 -30.95 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.771 -179.727 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.33 -46.29 79.98 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.379 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.48 -33.62 69.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 0.0 110.302 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.761 HG12 HG21 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -65.83 -34.61 71.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 -179.541 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HG3' HD13 ' A' ' 44' ' ' ILE . 3.6 mm-40 -81.87 -31.76 31.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.092 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.9 -32.9 78.29 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 176.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -39.71 89.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.993 -0.604 . . . . 0.0 110.299 173.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 47' ' ' ILE . 4.8 mm -65.76 -45.96 90.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.307 175.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -58.59 -35.2 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.034 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 57' ' ' PHE . . . -64.43 -28.5 69.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.96 177.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -87.16 -32.68 19.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.19 176.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.88 -56.5 20.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.323 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -68.84 -18.27 64.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.558 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 40.7 t80 -64.16 -39.56 94.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.037 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -70.32 -15.24 62.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.468 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -91.11 -29.97 16.99 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.818 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.63 -21.07 45.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.037 0.446 . . . . 0.0 110.703 175.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -57.25 -54.77 51.22 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.656 -176.081 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 9.5 Cg_endo -52.69 -37.54 75.44 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.429 2.086 . . . . 0.0 113.034 -177.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -80.08 -45.91 17.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.643 0.259 . . . . 0.0 110.799 -177.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.853 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . . . -65.33 -27.62 68.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.471 . . . . 0.0 110.681 178.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -66.88 -32.22 73.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.844 174.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -36.19 64.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.086 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.853 ' HG3' ' HA ' ' A' ' 64' ' ' ALA . 4.7 mm-40 -53.74 -54.98 30.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.454 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.509 ' HB3' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -58.14 -39.91 79.97 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.54 0.209 . . . . 0.0 111.354 -177.451 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -68.12 -44.62 75.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.079 0.466 . . . . 0.0 110.251 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.27 -2.19 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.3 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -100.78 -39.32 6.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.777 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -33.25 74.78 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.774 175.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.07 -36.06 74.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.646 178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.9 mt -68.98 -40.91 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.586 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.66 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -69.9 -18.31 63.39 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.889 -177.691 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -61.21 -42.9 99.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.99 0.424 . . . . 0.0 110.702 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.661 ' HA ' ' HG2' ' A' ' 80' ' ' ARG . 6.5 tt0 -83.23 -29.97 28.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.631 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.43 1.21 49.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.485 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.456 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -114.83 -34.33 5.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.099 175.676 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.661 ' HG2' ' HA ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -57.56 -33.25 67.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.387 0.429 . . . . 0.0 111.111 -175.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.708 HG12 HG21 ' A' ' 10' ' ' ILE . 2.2 pp -63.35 -36.01 74.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 110.6 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.479 ' HB1' HD11 ' A' ' 89' ' ' LEU . . . -82.34 -22.71 35.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.197 0.522 . . . . 0.0 110.715 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 31.4 mm-40 -74.46 -32.87 62.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.91 176.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -85.8 -41.39 15.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.451 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.84 130.42 53.94 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -74.45 70.57 1.75 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.321 0.582 . . . . 0.0 110.753 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.6 pt -77.87 179.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.981 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -107.9 78.96 1.23 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.056 -175.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.479 HD11 ' HB1' ' A' ' 82' ' ' ALA . 1.2 mt -68.34 120.18 14.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.859 173.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.53 136.09 56.68 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.78 -49.38 74.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.15 -0.547 . . . . 0.0 112.524 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -25.87 54.25 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.544 0.212 . . . . 0.0 110.993 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.79 147.24 0.11 Allowed Pre-proline 0 N--CA 1.467 0.396 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.421 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.2 -52.79 7.01 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.881 2.387 . . . . 0.0 112.561 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.594 ' CE2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -129.71 -31.83 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.342 0.591 . . . . 0.0 110.67 -178.443 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.44 HG23 ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -90.4 72.38 7.02 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.509 -0.768 . . . . 0.0 112.764 -172.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -88.89 48.52 1.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 122.193 0.997 . . . . 0.0 110.68 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.31 101.04 2.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 114.619 -1.173 . . . . 0.0 110.247 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.734 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -71.58 150.42 93.59 Favored Pre-proline 0 N--CA 1.448 -0.56 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.734 ' HD2' HG22 ' A' ' 99' ' ' THR . 73.2 Cg_endo -74.04 18.6 0.45 Allowed 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.598 2.199 . . . . 0.0 113.193 -176.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.01 -53.63 1.63 Allowed 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -177.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -43.14 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.35 175.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 tt -71.98 -33.6 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.162 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.26 -42.86 29.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.4 m -59.76 -41.21 90.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.651 173.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -37.46 87.48 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.971 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -62.13 -42.55 99.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.279 175.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.86 -34.49 77.47 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.575 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -42.99 96.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.025 175.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 114' ' ' VAL . 77.1 t -59.95 -45.8 94.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.219 177.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -56.57 -45.59 81.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.864 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -79.62 -17.1 54.57 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -174.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.52 -14.13 38.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.744 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 77.4 t -59.76 -57.13 29.09 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.42 178.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.744 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 32.2 Cg_exo -60.35 -34.75 93.17 Favored 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.599 2.199 . . . . 0.0 112.744 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -61.16 -54.35 45.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.111 0.482 . . . . 0.0 110.419 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.506 ' HE ' HD11 ' A' ' 121' ' ' LEU . 0.7 OUTLIER -67.62 -28.84 68.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.544 178.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -63.93 -32.4 73.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -83.01 -40.66 19.67 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.22 87.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.415 0.447 . . . . 0.0 110.499 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.506 HD11 ' HE ' ' A' ' 117' ' ' ARG . 18.0 mt -63.89 -50.85 67.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.717 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 122' ' ' LEU . 0.7 OUTLIER -78.28 9.98 3.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.759 -176.246 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.4 ' HG3' ' HZ2' ' A' ' 127' ' ' LYS . 4.6 tp10 -109.1 -36.46 6.06 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.173 0.511 . . . . 0.0 109.778 173.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -33.64 16.88 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.655 -176.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.667 ' HB2' HG23 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.18 -29.03 67.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.12 0.486 . . . . 0.0 110.475 -178.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.473 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -81.21 -8.88 59.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.497 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.4 ' HZ2' ' HG3' ' A' ' 123' ' ' GLU . 4.5 mttt -93.31 -5.24 50.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.029 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.476 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 1.5 mm-40 -87.29 -135.15 0.08 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.304 176.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.476 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.966 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.247 -0.341 . . . . 0.0 112.247 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.786 ' HB2' ' HG3' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -85.12 -10.54 56.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.927 0.394 . . . . 0.0 111.195 -178.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.604 ' HA ' ' HG3' ' A' ' 6' ' ' GLN . 0.2 OUTLIER 62.01 27.44 16.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.969 177.604 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.927 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -87.1 -40.83 14.3 Favored 'General case' 0 C--O 1.221 -0.437 0 CA-C-O 121.177 0.513 . . . . 0.0 110.17 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -73.11 -29.42 62.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.723 0.773 . . . . 0.0 108.987 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.604 ' HG3' ' HA ' ' A' ' 3' ' ' THR . 0.7 OUTLIER -79.14 -11.48 59.98 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.717 -1.128 . . . . 0.0 109.994 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.927 HD23 ' HA ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -103.34 -35.78 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.113 0.482 . . . . 0.0 110.106 175.364 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -70.87 -36.75 72.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.048 -178.51 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.89 -34.84 76.08 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.304 0.573 . . . . 0.0 109.912 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.592 HD11 HD21 ' A' ' 89' ' ' LEU . 0.9 OUTLIER -81.37 -15.57 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.558 -179.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 9.7 t70 -78.51 -24.13 45.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.527 171.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 10.6 mm-40 -73.5 -35.25 65.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.709 175.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.552 ' HG ' ' HA ' ' A' ' 10' ' ' ILE . 0.6 OUTLIER -85.97 -10.63 54.81 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.012 174.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.7 OUTLIER -59.56 -34.0 72.13 Favored 'General case' 0 CA--C 1.522 -0.133 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 169.036 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.656 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -63.2 -36.37 83.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.973 177.273 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -65.0 -34.16 77.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.396 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.543 ' CD1' HG21 ' A' ' 96' ' ' THR . 1.6 t80 -66.18 -44.19 84.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 175.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.511 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -77.05 -4.39 44.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.866 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.63 -17.91 14.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.04 0.448 . . . . 0.0 111.075 177.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.476 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -105.09 -41.57 5.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.664 179.21 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -72.3 -13.32 61.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.796 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -74.44 -54.85 2.98 Favored Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.584 -176.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 16.2 Cg_exo -67.01 -29.02 41.1 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.61 1.54 . . . . 0.0 110.773 174.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.552 ' O ' ' HG3' ' A' ' 28' ' ' MET . 1.4 t80 -65.13 -44.98 86.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.408 177.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -70.74 -27.64 64.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.408 0.623 . . . . 0.0 109.787 -179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -69.63 -39.0 77.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.937 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -68.17 -50.07 56.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.315 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.552 ' HG3' ' O ' ' A' ' 24' ' ' PHE . 6.3 mtt -50.26 -45.54 54.34 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.682 0.614 . . . . 0.0 111.581 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -62.56 -56.7 15.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.697 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.5 m -63.37 -33.16 74.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.683 -175.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.562 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . -73.12 -53.65 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.729 0.299 . . . . 0.0 110.997 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.407 ' HE2' ' HB2' ' A' ' 109' ' ' LYS . 9.9 ttm -64.48 -31.9 73.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.144 -177.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -68.6 -38.63 80.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.53 -32.25 69.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.48 0.657 . . . . 0.0 110.007 178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 0.2 OUTLIER -77.18 -29.18 54.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.996 -177.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.39 -37.7 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.795 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -85.34 176.07 8.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.382 0.611 . . . . 0.0 111.81 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -101.43 160.35 14.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.444 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -119.43 123.77 44.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.758 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.4 tp -87.98 129.83 38.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.241 0.543 . . . . 0.0 110.304 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.513 HG12 HD23 ' A' ' 50' ' ' LEU . 11.1 m -126.74 160.14 35.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.43 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -119.4 -48.25 2.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.7 p -125.15 173.8 8.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.233 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.786 HG22 ' HB3' ' A' ' 128' ' ' GLN . 0.5 OUTLIER -69.21 -23.22 26.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.847 179.427 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.501 ' N ' HG13 ' A' ' 44' ' ' ILE . 13.3 mt-10 -60.36 -38.69 84.65 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.806 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.18 -18.74 33.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.524 ' HB ' ' HA ' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -63.67 -45.53 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.755 176.63 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -74.51 -25.53 59.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.332 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.08 -40.57 56.29 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 175.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.513 HD23 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -64.15 -41.93 96.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.148 0.499 . . . . 0.0 110.311 176.019 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.486 HG12 HD22 ' A' ' 121' ' ' LEU . 29.7 mt -67.33 -33.33 61.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.723 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.5 m -61.63 -29.18 69.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.681 175.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.62 -15.63 63.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.269 0.557 . . . . 0.0 110.831 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.524 ' HE1' HD11 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -101.38 -13.08 18.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.484 174.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -84.36 -45.49 12.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.17 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -22.52 67.01 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.521 0.677 . . . . 0.0 109.483 172.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' HE1' ' HB1' ' A' ' 31' ' ' ALA . 67.7 t80 -62.38 -33.94 75.73 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.968 175.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.667 ' HE3' HD12 ' A' ' 61' ' ' LEU . 8.3 mmmm -79.39 -6.62 57.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.547 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -94.05 -33.13 13.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.833 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -39.68 56.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 176.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.667 HD12 ' HE3' ' A' ' 58' ' ' LYS . 2.5 mt -47.21 -55.75 14.71 Favored Pre-proline 0 N--CA 1.47 0.531 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -175.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.4 Cg_endo -52.71 -38.48 77.06 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.474 2.116 . . . . 0.0 112.997 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.62 -28.93 17.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.884 0.374 . . . . 0.0 110.737 -176.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.68 -37.48 76.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.219 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 4.9 t70 -64.32 -44.47 91.47 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 174.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.6 -41.11 89.58 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.117 176.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -51.51 62.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.016 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -61.52 -35.86 78.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.727 0.298 . . . . 0.0 110.981 -178.743 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -71.81 -37.28 70.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 0.0 110.383 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.66 -14.26 59.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.9 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.476 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -87.8 -37.7 11.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.361 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -66.5 -27.98 68.21 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.239 171.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.1 -40.43 82.59 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.777 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.3 mt -66.87 -43.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.335 0.588 . . . . 0.0 110.271 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.415 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -68.59 -21.38 64.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.71 179.56 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -66.51 -36.08 81.83 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.497 0.665 . . . . 0.0 109.612 175.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.521 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -78.24 -26.52 47.33 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.088 178.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -102.04 -2.54 29.34 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.5 -43.66 3.64 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.794 178.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.19 -21.41 65.79 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.152 -171.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.463 HG21 HG21 ' A' ' 10' ' ' ILE . 2.4 pp -66.16 -33.46 63.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.259 0.552 . . . . 0.0 110.066 176.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.57 -32.47 23.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.02 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -72.04 -31.61 66.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.049 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.8 m -74.44 -27.37 60.57 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.96 0.409 . . . . 0.0 110.894 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.412 ' HB3' HG23 ' A' ' 87' ' ' ILE . 68.7 m-80 -105.96 -153.63 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -141.24 38.48 1.74 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 169.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.412 HG23 ' HB3' ' A' ' 85' ' ' ASN . 3.2 pt -76.62 168.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.679 -174.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.01 79.71 1.3 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.615 -176.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.592 HD21 HD11 ' A' ' 10' ' ' ILE . 6.2 mt -59.85 -18.77 46.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.451 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m 71.08 -73.13 0.1 Allowed 'General case' 0 C--O 1.234 0.243 0 C-N-CA 123.349 0.659 . . . . 0.0 110.986 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -120.7 123.07 5.45 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.283 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.4 m -67.5 -22.36 65.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.175 0.512 . . . . 0.0 110.05 176.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -126.57 73.05 74.18 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.398 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.05 -25.44 8.77 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.049 1.833 . . . . 0.0 112.084 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.656 ' CD2' HD13 ' A' ' 15' ' ' LEU . 20.5 m-30 -119.05 -49.79 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.158 0.504 . . . . 0.0 110.794 -174.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.546 ' OG1' HG22 ' A' ' 98' ' ' VAL . 1.5 t -110.63 120.46 42.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.886 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.8 m -55.86 -41.72 74.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -176.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.546 HG22 ' OG1' ' A' ' 96' ' ' THR . 9.3 m -52.79 122.56 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.904 0.859 . . . . 0.0 113.223 -174.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.547 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -91.56 154.76 44.23 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.902 167.308 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.573 ' HB3' HD21 ' A' ' 72' ' ' LEU . 86.8 Cg_exo -49.15 -40.77 42.16 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.987 2.458 . . . . 0.0 112.984 -179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 -69.16 -39.06 79.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.852 0.358 . . . . 0.0 110.576 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.542 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -63.78 -46.62 93.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.18 178.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -33.5 46.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.551 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 t-20 -72.61 -51.04 21.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.917 0.389 . . . . 0.0 110.6 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.2 m -61.63 -35.96 79.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.1 OUTLIER -59.92 -44.28 94.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.598 0.237 . . . . 0.0 110.498 178.484 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -60.88 -41.77 96.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.297 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -63.51 -39.37 94.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.797 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 14.1 mmtt -70.5 -36.42 73.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.382 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 114' ' ' VAL . 2.8 t -62.56 -48.54 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.464 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -61.97 -40.44 95.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.442 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 6.2 pt20 -75.59 -22.39 56.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.892 -175.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -86.62 -10.19 54.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.328 0.585 . . . . 0.0 110.579 178.329 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 110' ' ' VAL . 4.7 t -68.61 -51.33 22.43 Favored Pre-proline 0 N--CA 1.448 -0.528 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.321 -176.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 37.3 Cg_endo -65.89 -23.4 54.86 Favored 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 122.121 1.881 . . . . 0.0 112.107 178.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -70.5 -49.7 45.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.716 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -65.25 -36.86 85.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.216 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.449 ' OD1' ' HD2' ' A' ' 54' ' ' HIS . 0.5 OUTLIER -58.37 -35.97 72.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.531 175.475 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -73.99 -41.1 62.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.541 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.82 90.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.41 176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.486 HD22 HG12 ' A' ' 51' ' ' ILE . 9.1 mt -66.48 -43.63 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.871 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.551 ' O ' ' HG2' ' A' ' 125' ' ' GLN . 0.4 OUTLIER -69.7 -36.06 75.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.62 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -45.64 68.52 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.2 177.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.673 ' HA ' ' HG3' ' A' ' 127' ' ' LYS . 0.5 OUTLIER -69.17 -34.51 75.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.736 -177.448 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 122' ' ' LEU . 3.2 pt20 -66.05 -33.53 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.5 m -78.34 -9.54 59.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.452 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.673 ' HG3' ' HA ' ' A' ' 124' ' ' GLU . 1.5 mmmm -80.55 -14.14 58.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.226 0.536 . . . . 0.0 109.596 170.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.786 ' HB3' HG22 ' A' ' 44' ' ' ILE . 43.7 mm-40 -100.16 -153.48 0.45 Allowed 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.525 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.691 -0.671 . . . . 0.0 110.106 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.197 -0.361 . . . . 0.0 112.197 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m 67.53 12.19 8.76 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.162 0.585 . . . . 0.0 112.211 176.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' ' 6' ' ' GLN . 0.2 OUTLIER -80.64 -32.18 36.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.214 0.53 . . . . 0.0 109.953 176.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.637 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -61.48 -27.6 68.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.218 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -82.36 -38.65 23.89 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.616 -175.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -81.3 -7.25 59.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.166 -176.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -103.06 -36.85 8.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.122 174.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.57 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -80.85 -30.41 35.68 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.625 -176.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.82 75.58 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.367 0.603 . . . . 0.0 109.651 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.54 ' HB ' ' HA ' ' A' ' 78' ' ' ALA . 1.0 OUTLIER -85.29 -10.9 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.813 179.102 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 0.8 OUTLIER -72.0 -27.82 62.99 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 173.382 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -68.03 -33.17 74.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.383 173.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' A' ' 77' ' ' GLU . 14.4 mt -74.19 -32.47 63.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.519 173.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.476 ' CD2' ' HB1' ' A' ' 78' ' ' ALA . 27.7 m170 -59.82 -37.11 78.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.617 174.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.676 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -58.25 -47.49 83.42 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.997 174.702 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -61.87 -34.54 76.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.969 0.414 . . . . 0.0 110.541 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.471 ' HB3' ' ND2' ' A' ' 93' ' ' ASN . 2.4 t80 -65.2 -44.27 88.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 176.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.595 ' HA ' HG21 ' A' ' 96' ' ' THR . . . -72.52 -15.7 61.78 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.47 -179.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -22.04 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.773 0.321 . . . . 0.0 111.437 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -106.1 -36.79 6.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.238 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.55 -20.67 64.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.785 0.326 . . . . 0.0 110.556 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -72.53 -57.65 3.31 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.868 -175.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.409 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 38.5 Cg_endo -67.86 -24.42 40.16 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.592 1.528 . . . . 0.0 111.422 177.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.549 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -70.34 -42.6 71.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.007 175.755 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -64.83 -34.08 77.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 109.53 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -69.61 -36.95 76.65 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.649 -1.159 . . . . 0.0 109.642 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -70.96 -51.24 26.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.061 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 43.4 mtt -53.24 -47.51 68.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.606 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -45.31 83.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.053 -177.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -69.51 -39.34 77.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.017 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.29 -49.46 60.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.737 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 32.3 ttm -57.63 -44.13 85.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.42 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -59.25 -48.38 81.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.592 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.58 -25.79 65.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.274 0.559 . . . . 0.0 110.33 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HA ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -78.66 -24.11 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.739 -176.259 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -21.09 14.63 Favored 'General case' 0 C--O 1.233 0.198 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.466 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -61.75 127.02 29.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.956 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.41 91.39 1.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.225 0.536 . . . . 0.0 110.341 179.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -64.52 133.46 52.43 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.525 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 40' ' ' ILE . 3.2 tp -107.52 135.23 46.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 174.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.713 HG21 HG12 ' A' ' 47' ' ' ILE . 7.9 m -121.25 145.4 27.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.049 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -113.44 -47.29 3.01 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.4 p -112.35 170.44 8.17 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.355 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.602 HG21 ' HG3' ' A' ' 129' ' ' GLN . 0.5 OUTLIER -73.34 -25.6 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.953 0.406 . . . . 0.0 109.953 178.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.495 ' N ' HG13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -51.74 -53.29 41.22 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.391 176.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -28.65 62.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.9 -177.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.713 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -67.83 -37.33 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.989 179.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -34.86 51.57 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.62 -32.6 71.07 Favored Glycine 0 N--CA 1.452 -0.291 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -37.51 82.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.027 -0.586 . . . . 0.0 110.544 175.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 47' ' ' ILE . 5.0 mm -66.82 -41.55 87.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.505 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.573 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 1.2 m -59.03 -25.69 63.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.906 178.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.01 2.97 11.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.47 0.653 . . . . 0.0 111.248 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.489 ' HE1' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -116.36 -23.71 8.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.404 167.701 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.67 -47.26 79.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.066 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -80.41 -17.65 51.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.149 0.499 . . . . 0.0 110.138 176.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.432 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 29.6 t80 -69.11 -42.29 76.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.838 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.712 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -62.13 -22.09 65.56 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.967 175.816 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -33.01 22.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.156 0.503 . . . . 0.0 110.2 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.66 -19.82 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.3 178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.712 HD12 ' HE3' ' A' ' 58' ' ' LYS . 1.9 mt -58.21 -57.43 26.12 Favored Pre-proline 0 CA--C 1.538 0.481 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.32 -28.22 78.56 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 121.743 1.629 . . . . 0.0 111.937 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -75.4 -45.3 39.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.617 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.55 -34.07 65.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.654 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.48 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 30.6 t70 -61.55 -37.02 82.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.213 0.53 . . . . 0.0 109.735 175.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.97 -45.06 96.26 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.256 175.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -59.6 -42.68 93.14 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.663 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.549 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 3.6 ttp85 -58.15 -47.58 82.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.714 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.36 -39.24 94.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.422 . . . . 0.0 110.399 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.72 -16.19 61.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.851 -178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -81.37 -39.85 17.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -179.126 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.496 HD22 ' O ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -69.7 -23.3 63.41 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.773 171.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -72.22 -33.52 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.075 176.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 71' ' ' ILE . 39.3 mt -70.88 -45.94 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.045 175.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.524 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -69.87 -13.18 62.13 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.152 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -57.78 -48.8 78.65 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.823 0.344 . . . . 0.0 110.545 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.617 ' HB3' HD13 ' A' ' 13' ' ' LEU . 14.5 tp10 -83.95 -27.6 28.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.283 0.563 . . . . 0.0 109.842 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.54 ' HA ' ' HB ' ' A' ' 10' ' ' ILE . . . -85.35 -1.14 56.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.029 -176.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -121.96 -40.43 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.465 177.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -58.81 -29.61 66.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.665 -174.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.494 HG12 HG21 ' A' ' 10' ' ' ILE . 2.6 pp -65.84 -30.76 51.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.185 0.517 . . . . 0.0 111.181 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.22 -30.84 22.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.421 0.629 . . . . 0.0 109.651 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -74.58 -27.64 60.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.804 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 p -80.24 -22.31 41.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.988 0.423 . . . . 0.0 110.425 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.483 ' HB3' HG23 ' A' ' 87' ' ' ILE . 39.2 m-80 -100.23 -155.69 0.52 Allowed 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 177.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -140.95 39.61 1.8 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 171.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.483 HG23 ' HB3' ' A' ' 85' ' ' ASN . 32.0 pt -78.76 170.89 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 114.736 -1.12 . . . . 0.0 111.287 -174.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -118.58 81.06 1.63 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.768 -176.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 89' ' ' LEU . 8.2 mt -74.55 -22.0 59.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.683 178.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 m 60.95 53.52 3.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.876 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.56 175.57 13.88 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.25 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.1 -26.31 22.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.1 0.476 . . . . 0.0 110.504 178.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.732 ' HB3' ' O ' ' A' ' 96' ' ' THR . 25.3 t-20 -163.54 129.99 2.35 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.983 -176.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.2 -33.26 3.57 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 123.403 2.735 . . . . 0.0 112.759 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.676 ' HE2' HD22 ' A' ' 15' ' ' LEU . 15.1 m-85 -83.01 -43.88 15.87 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.539 -176.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.732 ' O ' ' HB3' ' A' ' 93' ' ' ASN . 12.3 t -131.43 104.09 6.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.441 0.639 . . . . 0.0 110.753 176.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.15 72.68 9.2 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.289 -0.882 . . . . 0.0 111.531 -177.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.418 HG23 ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -121.64 116.78 50.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.707 177.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.612 ' H ' HD12 ' A' ' 102' ' ' ILE . 64.3 p -77.12 157.85 80.62 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.049 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 45.2 Cg_exo -58.14 -22.78 58.03 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.536 2.158 . . . . 0.0 111.112 175.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -80.93 -40.66 24.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.198 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.612 HD12 ' H ' ' A' ' 99' ' ' THR . 16.5 mt -59.36 -51.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.045 176.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 tp -65.31 -33.51 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.879 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 m-20 -79.16 -49.19 12.97 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.288 -0.257 . . . . 0.0 111.0 -178.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.3 m -62.71 -34.55 77.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.426 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -65.16 -42.13 94.01 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.586 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.0 t-105 -61.34 -44.42 97.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.019 175.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -41.65 86.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.718 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.439 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 8.0 tttt -67.44 -37.65 83.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.793 178.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 114' ' ' VAL . 3.0 t -63.9 -48.87 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.227 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 6.2 mm100 -60.01 -43.68 95.06 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.041 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 1.7 pt20 -73.83 -10.93 60.17 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -175.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.21 -8.45 29.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.443 0.64 . . . . 0.0 110.198 176.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.638 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 16.2 t -68.82 -54.73 12.29 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.973 -177.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.638 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 21.8 Cg_exo -66.41 -24.95 49.19 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 122.184 1.922 . . . . 0.0 111.68 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -65.13 -49.09 71.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.809 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.746 ' HE ' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -65.84 -38.28 88.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.276 176.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.577 ' HA ' HD12 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -62.48 -29.77 70.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.123 0.487 . . . . 0.0 110.495 177.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -74.43 -42.4 59.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.656 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.45 87.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.471 178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.746 HD11 ' HE ' ' A' ' 117' ' ' ARG . 15.9 mt -64.71 -42.64 95.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.552 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.627 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -61.79 -42.86 99.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.952 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -47.59 84.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.101 0.477 . . . . 0.0 110.555 178.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.444 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -68.57 -39.49 80.98 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.433 -176.527 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.627 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -71.26 -25.08 62.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.818 0.342 . . . . 0.0 110.657 179.194 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.7 m -78.8 -17.4 55.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.982 0.42 . . . . 0.0 110.565 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.46 -9.82 59.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.105 0.479 . . . . 0.0 110.216 176.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.448 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 17.8 mm-40 -104.33 -138.93 0.36 Allowed 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.546 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.602 ' HG3' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.223 -0.894 . . . . 0.0 109.632 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.928 0 N-CA-C 112.36 -0.296 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -179.46 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.17 0.588 . . . . 0.0 109.54 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.761 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -57.83 -43.66 85.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.756 -176.794 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.616 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.8 mp0 -58.42 -29.05 65.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.863 -174.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -83.88 -27.16 28.85 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.501 ' OE1' ' HA ' ' A' ' 3' ' ' THR . 46.8 mt-30 -73.26 -36.25 66.34 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 173.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.761 ' HG ' ' O ' ' A' ' 3' ' ' THR . 9.2 mt -73.59 -42.38 61.65 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.722 -178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.616 ' HA ' ' HB2' ' A' ' 11' ' ' ASP . 2.6 tt0 -78.24 -22.93 47.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.204 -176.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.75 -39.35 76.8 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 7' ' ' LEU . 1.5 pp -85.47 -12.09 11.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.469 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.616 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 0.9 OUTLIER -70.48 -26.96 63.86 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 173.373 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -67.7 -33.79 75.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.37 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.733 HD12 ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -80.27 -24.33 40.15 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 174.348 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 8.9 m170 -58.98 -32.84 70.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.935 175.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.643 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.3 OUTLIER -61.91 -41.39 97.86 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.611 175.199 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.41 -33.56 75.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.698 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -66.61 -42.0 87.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 -19.23 60.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.6 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -16.33 23.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.788 0.328 . . . . 0.0 111.305 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.462 ' HB3' HD11 ' A' ' 71' ' ' ILE . 15.9 mtt180 -107.45 -39.65 5.58 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.577 -178.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.0 -19.56 64.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.701 0.286 . . . . 0.0 110.621 178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.33 -58.39 6.06 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.554 -177.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.67 -26.63 45.79 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.565 1.51 . . . . 0.0 111.593 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -69.13 -40.93 77.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.281 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -69.73 -29.6 67.02 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.523 0.678 . . . . 0.0 109.832 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -72.36 -37.87 68.7 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.496 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -67.55 -50.92 56.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.882 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.699 ' HE1' HG13 ' A' ' 103' ' ' ILE . 37.8 mtm -57.43 -40.42 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.862 -177.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -64.91 -48.7 73.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.118 179.802 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.0 m -68.45 -38.61 81.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.67 0.271 . . . . 0.0 111.258 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.69 -50.79 55.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.0 110.74 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.571 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 15.1 ttm -63.73 -27.06 68.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.602 178.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 1.1 tt0 -64.52 -45.74 85.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.177 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -69.76 -47.91 61.24 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.532 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.21 -28.35 69.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.304 -173.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.571 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -80.03 -33.57 39.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.411 . . . . 0.0 111.414 177.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.13 151.32 23.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.272 0.558 . . . . 0.0 111.836 -173.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.9 121.18 32.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.833 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -70.64 136.21 48.96 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.983 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.4 tp -109.27 133.81 53.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.834 173.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.467 HG21 HG12 ' A' ' 47' ' ' ILE . 12.1 m -126.82 150.64 32.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.168 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -112.69 -48.66 2.99 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.13 0.49 . . . . 0.0 109.797 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.1 p -109.55 168.85 9.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.273 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.443 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -71.41 -31.79 44.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.174 0.512 . . . . 0.0 110.323 178.629 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.86 -41.54 61.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.141 177.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.13 -34.34 72.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.613 178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.72 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -64.5 -40.28 88.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -62.66 -36.19 82.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.165 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.5 -40.07 40.21 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -55.22 -46.91 75.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.011 -0.595 . . . . 0.0 111.073 175.232 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.72 HG12 ' O ' ' A' ' 47' ' ' ILE . 8.5 mm -63.22 -48.04 89.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.275 178.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.0 m -58.94 -39.25 81.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.46 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.15 93.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.792 0.329 . . . . 0.0 110.99 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.44 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 4.5 t60 -76.85 -31.47 56.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.334 177.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.5 -52.6 51.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.997 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.93 -20.36 64.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.552 0.692 . . . . 0.0 109.996 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.45 ' HD1' ' HD2' ' A' ' 58' ' ' LYS . 14.7 t80 -67.5 -40.09 85.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.666 175.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' HD2' ' HD1' ' A' ' 57' ' ' PHE . 11.9 mmmm -65.63 -17.59 64.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.959 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' HD2' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -90.49 -30.88 17.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.079 178.147 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -74.87 -24.29 58.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.533 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.506 ' HB2' ' HD3' ' A' ' 62' ' ' PRO . 1.8 mt -56.69 -57.23 25.13 Favored Pre-proline 0 C--O 1.221 -0.42 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.138 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 51.1 Cg_exo -56.34 -34.14 93.31 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.966 1.777 . . . . 0.0 112.235 179.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -67.03 -54.61 19.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.213 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.39 -27.34 65.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.253 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 34.2 t70 -68.97 -27.97 66.2 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.273 0.559 . . . . 0.0 110.285 177.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.62 -28.18 40.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.061 0.457 . . . . 0.0 109.905 173.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.43 ' OE1' ' HD3' ' A' ' 20' ' ' ARG . 5.6 mm-40 -68.89 -43.53 75.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.207 178.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 65' ' ' ASP . 6.2 ptm180 -59.42 -35.26 73.65 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 120.813 0.34 . . . . 0.0 110.486 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -73.98 -37.91 64.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.293 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.15 -22.63 62.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.195 0.522 . . . . 0.0 110.885 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.462 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -82.71 -39.06 15.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 -179.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -69.24 -26.73 64.94 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.372 174.239 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.83 78.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.52 178.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 71' ' ' ILE . 19.4 mt -65.62 -47.89 84.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.517 0.675 . . . . 0.0 109.791 175.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.457 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -67.81 -16.84 64.3 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.906 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -37.29 82.4 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 122.17 -0.331 . . . . 0.0 110.801 -177.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.38 -29.38 16.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.341 0.591 . . . . 0.0 109.873 177.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.733 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -92.92 -0.34 57.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.715 -173.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.6 OUTLIER -119.33 -43.4 2.62 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.282 176.286 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 81' ' ' ILE . 0.7 OUTLIER -56.9 -28.83 62.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.173 -175.039 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.467 ' N ' ' HG3' ' A' ' 80' ' ' ARG . 2.5 pp -63.51 -33.58 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.191 0.519 . . . . 0.0 110.637 178.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.61 -7.96 56.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.14 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -98.16 -13.31 20.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.176 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.4 m -83.71 -28.48 28.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.622 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.77 171.42 12.25 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -81.54 55.33 2.61 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 172.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 87' ' ' ILE . 0.3 OUTLIER -95.36 130.34 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.292 -174.155 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.5 91.52 2.94 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.687 -177.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -53.64 -54.74 33.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.588 179.535 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.69 -44.0 0.11 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.758 0.79 . . . . 0.0 108.893 177.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.58 -152.67 9.32 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.399 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.41 -34.55 77.47 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.15 0.5 . . . . 0.0 110.843 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.627 ' HB2' ' O ' ' A' ' 96' ' ' THR . 0.2 OUTLIER -141.4 124.27 9.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.16 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -86.84 -49.08 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.748 2.299 . . . . 0.0 113.817 -175.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.643 ' HE2' HD22 ' A' ' 15' ' ' LEU . 23.2 m-85 -99.76 -59.6 1.69 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.714 0.292 . . . . 0.0 110.987 -173.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.627 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 7.4 t -96.72 147.19 24.17 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.25 61.45 1.72 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.827 0.823 . . . . 0.0 111.76 -176.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.3 m -134.7 153.45 35.03 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.326 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.8 p -124.44 166.62 18.76 Favored Pre-proline 0 C--N 1.316 -0.854 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.604 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 49.5 Cg_exo -57.42 -24.86 63.05 Favored 'Trans proline' 0 CA--C 1.53 0.282 0 C-N-CA 122.25 1.967 . . . . 0.0 111.531 173.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -79.15 -48.26 14.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.055 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 mt -57.12 -44.41 83.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.113 0.482 . . . . 0.0 110.569 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.699 HG13 ' HE1' ' A' ' 28' ' ' MET . 0.2 OUTLIER -69.27 -35.33 67.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.453 -179.73 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.604 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.5 t-20 -77.04 -49.54 15.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.203 -177.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.6 p -54.61 -40.46 68.91 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.785 0.326 . . . . 0.0 111.223 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -66.91 -47.55 71.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.991 178.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -57.92 -42.21 84.32 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.989 0.424 . . . . 0.0 110.283 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.1 -46.35 90.97 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.682 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.1 OUTLIER -62.73 -37.08 85.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.415 179.267 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 114' ' ' VAL . 3.0 t -62.74 -48.81 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.188 177.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.42 ' NE2' HD13 ' A' ' 61' ' ' LEU . 13.0 mm-40 -61.28 -42.2 98.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.695 -177.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.5 pt20 -74.52 -21.91 59.3 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -174.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.1 mt -88.08 -10.52 49.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.342 0.591 . . . . 0.0 110.561 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 110' ' ' VAL . 16.3 t -68.31 -52.18 22.34 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.716 -175.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.522 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 34.9 Cg_exo -61.1 -35.48 86.42 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.307 2.004 . . . . 0.0 112.206 178.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -62.9 -47.75 81.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 110.307 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -65.41 -36.68 84.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.565 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.55 -30.56 71.66 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.238 0.542 . . . . 0.0 110.352 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -78.81 -44.84 22.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.41 87.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.688 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.625 HD22 HD13 ' A' ' 51' ' ' ILE . 30.3 mt -61.61 -49.97 74.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.654 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.706 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 9.5 mt -61.36 -45.65 93.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.76 -42.2 92.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.235 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -78.96 -35.46 43.07 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-O 120.659 0.266 . . . . 0.0 111.587 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.706 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.1 OUTLIER -69.98 -25.82 63.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.737 0.303 . . . . 0.0 110.739 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 38.5 m -73.95 -11.08 60.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.856 0.36 . . . . 0.0 110.754 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -93.47 -5.23 49.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.926 0.394 . . . . 0.0 110.453 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -88.77 -128.72 0.07 Allowed 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.495 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.254 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 112.245 -0.342 . . . . 0.0 112.245 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.41 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 14.3 m 74.14 -40.98 0.47 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.68 0.792 . . . . 0.0 112.493 178.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -33.9 71.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.737 0.303 . . . . 0.0 111.633 -178.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -75.94 -11.87 60.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.06 0.457 . . . . 0.0 110.468 -179.451 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 2' ' ' SER . 43.2 mttt -99.35 -24.43 14.82 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.642 -0.874 . . . . 0.0 108.642 178.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -66.59 -45.87 77.8 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.364 170.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.572 ' CD2' ' HA ' ' A' ' 4' ' ' GLU . 3.6 pp -73.3 -31.59 64.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.787 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -75.39 -28.75 59.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.978 0.418 . . . . 0.0 110.318 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.94 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.216 0.531 . . . . 0.0 109.906 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 7' ' ' LEU . 1.3 pp -77.87 -11.55 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.411 178.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 1.0 OUTLIER -70.74 -26.37 63.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 171.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -73.58 -27.15 61.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.328 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.474 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . 50.4 mt -72.58 -36.26 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 170.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 41.1 m170 -59.49 -38.15 80.11 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.647 175.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.637 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -58.78 -46.86 86.55 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.745 173.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -66.56 -31.03 71.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.044 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.606 ' HB3' HG21 ' A' ' 96' ' ' THR . 1.6 t80 -71.73 -45.15 62.68 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.21 -24.81 63.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.751 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -34.33 48.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.858 0.361 . . . . 0.0 110.598 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.38 -38.16 16.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.647 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.14 -18.95 64.01 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.634 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -65.17 -59.54 9.69 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.933 -177.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 56.7 Cg_endo -71.45 -27.45 19.08 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 121.435 1.423 . . . . 0.0 111.893 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.46 ' HE1' ' HB1' ' A' ' 64' ' ' ALA . 0.8 OUTLIER -65.38 -43.99 88.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.008 177.662 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -71.09 -28.31 64.24 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.003 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -66.78 -40.63 88.24 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.608 0.718 . . . . 0.0 109.17 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -65.65 -48.3 72.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.807 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.506 ' HE2' ' HB2' ' A' ' 107' ' ' TRP . 26.4 mtt -62.52 -16.73 57.39 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.599 178.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' OE1' ' HA ' ' A' ' 29' ' ' GLU . 4.9 mm-40 -85.12 -65.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.569 0.223 . . . . 0.0 110.501 175.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.9 m -61.78 -43.22 99.28 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -172.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.1 -46.34 74.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 111.084 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' A' ' 109' ' ' LYS . 16.6 ttm -64.52 -36.44 84.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.602 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -67.39 -37.7 83.55 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.34 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.25 -34.3 49.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.227 0.537 . . . . 0.0 110.608 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 113' ' ' LEU . 2.1 mp -70.08 -38.17 75.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.814 -178.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -38.99 72.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.855 -178.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.09 143.85 47.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.833 0.349 . . . . 0.0 111.555 -173.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.3 tpt -70.12 127.62 33.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.903 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -85.89 134.65 33.88 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.189 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.3 tp -104.54 127.2 59.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 121.647 0.737 . . . . 0.0 110.028 176.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.581 HG21 HD12 ' A' ' 47' ' ' ILE . 33.4 m -126.78 148.8 31.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.509 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -124.34 -40.74 2.22 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.902 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 p -113.04 166.53 11.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.479 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.485 HD12 HG22 ' A' ' 47' ' ' ILE . 3.3 tp -65.31 -39.55 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.672 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.18 -38.64 77.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.062 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -62.6 -52.0 65.11 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.478 0.18 . . . . 0.0 110.879 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.691 HD11 ' HB3' ' A' ' 124' ' ' GLU . 1.8 tt -68.01 -29.38 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-O 120.822 0.344 . . . . 0.0 110.146 -178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -27.63 63.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.82 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.92 -35.68 11.06 Favored Glycine 0 CA--C 1.506 -0.505 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -48.87 -46.52 42.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.832 -0.684 . . . . 0.0 111.3 172.403 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.8 mm -66.49 -36.35 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.204 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.13 -31.25 72.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.004 0.431 . . . . 0.0 110.769 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.71 -24.5 66.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.897 176.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.43 ' HD2' ' OD1' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -91.17 -28.07 18.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.222 176.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.1 -50.08 69.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.392 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -71.38 -18.76 62.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.902 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -66.57 -36.07 81.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.127 0.489 . . . . 0.0 110.103 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.551 ' HE2' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.37 -12.76 61.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.977 177.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.72 -26.63 13.1 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.88 -28.9 29.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.4 . . . . 0.0 110.559 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 61' ' ' LEU . 4.2 mt -55.75 -58.13 17.55 Favored Pre-proline 0 C--O 1.221 -0.403 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.098 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 12.4 Cg_endo -55.96 -34.06 90.94 Favored 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.193 1.928 . . . . 0.0 112.744 -177.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.54 -48.73 59.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.059 0.457 . . . . 0.0 110.326 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.46 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -72.05 -31.92 66.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.694 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.4 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 14.8 t70 -64.02 -43.29 96.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.741 178.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.56 -31.06 72.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.215 0.531 . . . . 0.0 110.285 176.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -70.38 -32.92 70.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.241 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -63.6 -33.68 76.15 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.955 0.407 . . . . 0.0 110.252 178.371 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -35.7 65.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.851 176.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.47 -13.19 60.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.54 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -92.0 -37.41 8.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 72' ' ' LEU . 9.0 mt -70.92 -23.67 62.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.497 175.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.74 -18.05 65.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.186 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 71' ' ' ILE . 11.9 mt -86.91 -36.93 10.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.708 0.766 . . . . 0.0 109.929 175.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.519 ' CE1' ' HG2' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -71.67 -30.62 65.92 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.798 -174.228 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -62.3 -32.17 72.88 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.013 -176.647 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.485 ' N ' ' HD3' ' A' ' 76' ' ' LYS . 4.3 tp10 -89.24 -31.41 17.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.177 0.513 . . . . 0.0 110.469 179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 13' ' ' LEU . . . -95.31 4.8 53.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -175.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -122.91 -51.15 1.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 177.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.1 ptt-85 -56.88 -29.78 63.26 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.494 0.497 . . . . 0.0 111.119 -173.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.405 HD12 ' N ' ' A' ' 82' ' ' ALA . 1.9 pp -56.05 -44.37 78.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.018 0.437 . . . . 0.0 110.163 177.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.84 ' HB1' HG22 ' A' ' 87' ' ' ILE . . . -76.81 -34.78 57.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.482 -176.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.38 2.36 11.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.6 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.3 m -117.08 -1.43 11.9 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.836 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.583 ' ND2' ' HA ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -151.47 -171.88 4.06 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -173.043 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 85.38 1.01 Allowed 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.408 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.84 HG22 ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -28.84 112.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 O-C-N 124.768 1.292 . . . . 0.0 113.585 177.68 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.32 78.6 1.69 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.121 178.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -120.53 36.39 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.246 -178.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 m 61.84 33.45 17.65 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.603 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.56 -110.09 2.63 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.853 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.82 -48.3 3.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.002 0.429 . . . . 0.0 110.44 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.19 121.45 4.33 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.863 -175.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.53 -64.29 0.05 OUTLIER 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.575 2.183 . . . . 0.0 111.965 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.637 ' CD2' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -119.88 -41.68 2.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.764 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.606 HG21 ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -77.32 74.15 3.89 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.624 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 m -61.08 -37.17 81.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.763 0.792 . . . . 0.0 109.737 171.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.524 HG13 HG22 ' A' ' 96' ' ' THR . 0.4 OUTLIER -59.44 106.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.37 -1.286 . . . . 0.0 111.109 175.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.693 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -90.33 163.28 31.8 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.11 176.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.693 ' HD2' HG22 ' A' ' 99' ' ' THR . 81.8 Cg_exo -49.09 -37.49 38.27 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.238 2.625 . . . . 0.0 112.834 177.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -72.9 -35.29 67.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.189 -177.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.558 HD12 ' OG1' ' A' ' 99' ' ' THR . 3.5 mt -63.83 -47.38 91.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 176.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -33.51 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.372 -178.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -76.41 -42.81 42.93 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.039 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.6 p -61.47 -39.78 92.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.808 0.337 . . . . 0.0 110.724 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -63.14 -46.72 85.92 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.58 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.506 ' HB2' ' HE2' ' A' ' 28' ' ' MET . 70.7 t-105 -61.79 -42.55 99.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.397 176.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -62.57 -41.76 99.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.323 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.418 ' HB3' ' CE ' ' A' ' 32' ' ' MET . 0.1 OUTLIER -60.54 -40.96 93.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.471 176.457 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.9 t -62.38 -43.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.377 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -60.63 -44.25 96.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.511 -179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.51 -11.98 59.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -177.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.488 ' HB3' HD23 ' A' ' 35' ' ' LEU . 3.3 mt -85.89 -15.97 40.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.909 0.385 . . . . 0.0 110.331 178.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.458 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 57.7 t -62.79 -57.82 19.82 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.108 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.458 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 24.6 Cg_endo -63.31 -31.86 73.18 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 122.171 1.914 . . . . 0.0 112.12 178.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -51.88 67.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.368 0.604 . . . . 0.0 110.414 178.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -70.47 -33.99 71.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.557 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.43 ' OD1' ' HD2' ' A' ' 54' ' ' HIS . 0.3 OUTLIER -62.76 -34.3 76.94 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.274 0.559 . . . . 0.0 109.919 178.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 26.4 t60 -72.34 -44.71 62.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.996 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.45 87.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.032 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.486 HD22 HD13 ' A' ' 51' ' ' ILE . 38.9 mt -70.82 -50.26 37.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.368 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -77.73 0.39 23.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.844 -175.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.09 -14.13 16.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.144 0.497 . . . . 0.0 109.757 172.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.691 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -102.84 -48.23 4.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.357 -174.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.545 ' HA ' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -67.79 -20.11 65.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.719 -174.553 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.44 -20.26 58.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.856 0.36 . . . . 0.0 110.784 178.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 5.47 50.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.01 0.434 . . . . 0.0 110.405 178.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.542 ' HB3' ' H ' ' A' ' 129' ' ' GLN . 4.0 mm-40 -84.56 -130.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.31 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.542 ' H ' ' HB3' ' A' ' 128' ' ' GLN . 1.2 pt20 . . . . . 0 C--O 1.247 0.922 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.545 ' HB2' ' HG2' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -80.16 75.63 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.261 0.553 . . . . 0.0 110.809 179.095 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.709 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -65.59 -48.03 73.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.494 -177.64 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.672 ' HA ' HD12 ' A' ' 7' ' ' LEU . 26.0 pm0 -60.93 -28.74 69.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.99 -172.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.545 ' HG2' ' HB2' ' A' ' 2' ' ' SER . 0.2 OUTLIER -85.04 -20.44 30.43 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -174.437 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.493 ' O ' HG12 ' A' ' 10' ' ' ILE . 15.5 mm100 -84.95 -28.37 25.9 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.545 174.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 3' ' ' THR . 11.8 mt -73.74 -50.41 20.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.632 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.7 -31.41 41.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.114 -169.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.41 -34.35 67.79 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.594 -176.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 81' ' ' ILE . 1.1 pp -87.63 -16.04 9.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.254 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 5.7 t70 -73.23 -27.42 61.59 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.04 176.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -74.31 -7.83 54.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.905 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -113.33 -5.51 13.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 170.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -61.92 -39.91 93.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.832 177.557 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.735 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.55 -21.47 61.88 Favored 'General case' 0 C--O 1.223 -0.338 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.32 -176.616 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -66.84 -40.31 87.9 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.908 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER -62.64 -47.46 83.63 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.223 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.53 -24.58 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.647 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -83.23 -26.84 30.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.596 0.236 . . . . 0.0 111.045 179.231 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.555 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -91.96 -36.95 13.14 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.882 0.372 . . . . 0.0 110.782 -179.315 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.46 -22.73 64.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.368 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.479 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -64.04 -59.62 10.79 Favored Pre-proline 0 CA--C 1.538 0.517 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.112 -175.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.479 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 47.5 Cg_endo -69.57 -29.51 24.64 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 121.576 1.517 . . . . 0.0 111.677 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.499 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 3.4 t80 -65.83 -42.32 90.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.683 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.46 -26.13 60.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.317 0.58 . . . . 0.0 109.945 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -74.82 -38.1 62.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.373 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -66.72 -47.63 71.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.867 177.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 6.2 mtm -60.88 -36.13 78.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.932 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 21.1 mm-40 -61.0 -55.46 32.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.676 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -39.53 90.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 -178.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.29 -50.49 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.267 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.526 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 15.1 ttm -68.31 -25.49 65.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.444 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -68.09 -44.56 75.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.196 177.807 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -67.88 -46.77 70.74 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.649 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.98 -27.94 69.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.201 -175.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -69.74 -32.18 70.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.009 178.7 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -78.59 -176.63 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.115 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.28 144.58 49.9 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.513 177.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -100.45 135.41 41.93 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.282 0.563 . . . . 0.0 111.087 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.0 tp -120.26 137.38 54.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.486 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.875 HG21 HG12 ' A' ' 47' ' ' ILE . 8.8 m -126.72 151.51 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 -178.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -104.67 -59.84 1.68 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.174 0.512 . . . . 0.0 109.714 175.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.581 ' HB ' ' OE2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -105.49 172.5 6.76 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.113 -177.102 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.551 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -69.75 -31.14 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 110.85 -175.331 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.581 ' OE2' ' HB ' ' A' ' 43' ' ' THR . 1.5 mp0 -62.08 -34.55 76.5 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 177.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -73.39 -36.19 66.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.282 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.875 HG12 HG21 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -65.24 -39.55 85.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 177.162 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -74.27 -30.97 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.375 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.03 -37.82 87.92 Favored Glycine 0 CA--C 1.505 -0.559 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 176.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.526 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -62.07 -48.93 78.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.724 -0.738 . . . . 0.0 110.593 172.237 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.768 HG12 ' O ' ' A' ' 47' ' ' ILE . 19.4 mm -56.22 -51.22 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.67 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 m -54.78 -37.42 65.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.36 66.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.24 0.543 . . . . 0.0 111.208 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 6.7 t60 -91.42 -29.58 16.98 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.803 175.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -62.41 -49.12 76.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.627 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -71.98 -21.56 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.261 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.508 ' HE2' HG22 ' A' ' 114' ' ' VAL . 45.8 t80 -65.62 -35.3 80.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.731 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 1.5 mmmm -70.85 -18.95 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.498 0.665 . . . . 0.0 109.827 178.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 m -87.82 -33.26 18.67 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.542 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -21.19 54.92 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.641 0.258 . . . . 0.0 111.407 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.618 ' HB2' ' HD3' ' A' ' 62' ' ' PRO . 2.6 mt -54.46 -57.87 16.68 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.081 -177.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.618 ' HD3' ' HB2' ' A' ' 61' ' ' LEU . 49.0 Cg_exo -56.27 -35.38 95.63 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.205 1.937 . . . . 0.0 112.884 -177.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -69.65 -54.42 14.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.122 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.407 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -67.24 -33.51 75.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.045 -178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.539 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 22.2 t70 -61.37 -47.14 87.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.427 177.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 4.2 mmm180 -65.23 -33.1 75.2 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.442 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -60.85 -43.88 97.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.528 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.499 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -59.37 -37.29 77.55 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.966 0.413 . . . . 0.0 110.536 179.524 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.65 -43.14 66.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.361 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.01 -19.16 65.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.147 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.555 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -84.23 -40.04 15.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -179.267 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.41 -22.49 61.85 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.417 175.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.01 -44.48 80.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.414 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 71' ' ' ILE . 13.0 mt -62.22 -42.4 95.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.542 0.687 . . . . 0.0 109.879 175.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.549 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.1 OUTLIER -66.19 -24.86 66.7 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.85 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.499 ' HA ' ' HD3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -61.64 -44.43 96.98 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.334 178.311 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -83.18 -23.56 32.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -177.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.515 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -103.0 6.44 38.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.291 -176.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -124.34 -42.28 2.12 Favored 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.593 175.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.569 ' HA ' ' HB2' ' A' ' 83' ' ' GLU . 20.8 ptt85 -59.93 -22.03 61.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 -176.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 10' ' ' ILE . 2.1 pp -65.2 -34.43 70.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-O 121.156 0.503 . . . . 0.0 110.578 176.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB2' HD11 ' A' ' 87' ' ' ILE . . . -88.42 -19.46 26.51 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.659 0.742 . . . . 0.0 109.659 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 80' ' ' ARG . 88.6 mt-10 -79.6 -7.5 58.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.262 176.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.51 -39.34 8.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.698 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.74 144.8 37.65 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -175.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -74.32 81.85 1.88 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.723 -172.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 82' ' ' ALA . 1.2 pp -100.35 165.81 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.813 173.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.48 94.16 2.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.662 175.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mt -48.25 -66.08 0.46 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.734 0.646 . . . . 0.0 111.11 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.63 35.44 0.36 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.32 0.581 . . . . 0.0 109.951 175.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.47 -64.64 3.99 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.452 ' HB2' ' H ' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -103.12 -118.69 0.2 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.103 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.452 ' H ' ' HB2' ' A' ' 92' ' ' SER . 0.5 OUTLIER -152.05 138.72 12.06 Favored Pre-proline 0 C--N 1.33 -0.255 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.65 -51.82 3.69 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.992 2.461 . . . . 0.0 113.245 -175.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.408 ' CE2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -111.78 -39.75 4.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -177.03 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.84 70.16 10.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.753 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.03 47.52 1.51 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 122.393 1.092 . . . . 0.0 110.14 175.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.81 111.9 12.69 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.508 -176.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.589 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -80.85 148.99 66.36 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.676 -179.115 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.589 ' HD2' HG22 ' A' ' 99' ' ' THR . 10.7 Cg_endo -54.81 -39.2 91.01 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.821 2.347 . . . . 0.0 112.281 -178.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -65.02 -36.99 86.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.347 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.1 mp -64.3 -33.03 60.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.988 -176.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -93.89 -34.82 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 120.73 0.3 . . . . 0.0 111.644 -178.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -76.91 -43.43 35.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.675 0.274 . . . . 0.0 111.375 -176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 m -74.91 -24.46 58.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.571 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 3.4 mttt -68.08 -38.37 82.3 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 174.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.539 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 67.4 t-105 -60.2 -42.15 94.5 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 174.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.59 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.565 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.512 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 18.5 mttm -64.94 -40.64 95.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.076 0.465 . . . . 0.0 109.975 174.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 114' ' ' VAL . 43.0 t -62.86 -48.14 89.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.046 176.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -61.39 -31.67 71.58 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.386 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.4 pt20 -70.58 -23.39 62.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.7 mt -98.3 -8.61 26.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.316 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 110' ' ' VAL . 86.3 t -67.12 -56.32 13.61 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.683 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 21.4 Cg_endo -60.71 -33.43 93.17 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.853 -178.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -63.24 -48.79 76.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.213 0.53 . . . . 0.0 110.308 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.3 tpp85 -74.21 -29.42 61.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.66 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -33.85 76.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.185 0.517 . . . . 0.0 110.041 176.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -88.61 -44.26 10.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.662 -175.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 124' ' ' GLU . . . -61.53 -38.35 87.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.972 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 51' ' ' ILE . 18.4 mt -67.78 -48.25 66.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.625 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.476 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.3 OUTLIER -58.29 -44.79 88.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.237 178.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -45.25 88.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.682 0.277 . . . . 0.0 110.875 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.542 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -66.49 -42.4 87.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.554 -178.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.509 ' HB3' HD11 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -67.74 -26.23 66.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.725 0.298 . . . . 0.0 110.557 179.844 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.6 m -78.83 -16.26 57.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.621 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -87.63 4.47 43.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.32 0.581 . . . . 0.0 110.375 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -106.45 -138.74 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.587 175.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.992 0 CA-C-O 119.001 -0.523 . . . . 0.0 109.763 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 111.704 -0.559 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.04 -28.2 14.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.624 0.249 . . . . 0.0 111.233 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -45.47 91.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 -176.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.524 ' HA ' HD21 ' A' ' 7' ' ' LEU . 12.6 pm0 -74.89 -5.45 43.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.07 0.462 . . . . 0.0 111.176 -178.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -101.36 -29.67 11.91 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -59.31 -50.47 73.86 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.146 170.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.524 HD21 ' HA ' ' A' ' 4' ' ' GLU . 1.9 pp -71.46 -33.86 69.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.975 -173.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -75.71 -37.09 59.75 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.25 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.29 -36.75 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.062 0.458 . . . . 0.0 110.163 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.446 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 1.3 pp -79.07 -17.6 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.637 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 7.7 t70 -73.27 -27.6 61.65 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 174.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -72.36 -16.58 61.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.105 178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -105.39 -6.56 19.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.169 0.509 . . . . 0.0 109.737 171.687 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.567 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -60.59 -34.43 74.2 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.029 175.528 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.88 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -78.47 -26.55 46.1 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.753 -179.698 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' N ' HD22 ' A' ' 15' ' ' LEU . 4.9 mm-40 -63.44 -39.02 93.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.939 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -57.98 -51.16 70.81 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 172.773 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.58 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.717 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -34.89 43.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.454 179.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -87.1 -37.11 17.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 0.0 111.299 -179.376 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB3' HG21 ' A' ' 98' ' ' VAL . . . -66.91 -20.72 65.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.746 178.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -65.21 -61.18 6.45 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.068 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.493 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 44.3 Cg_endo -69.42 -27.02 28.58 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.535 1.49 . . . . 0.0 111.906 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.505 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 2.0 t80 -67.19 -43.11 82.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.199 176.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -67.83 -28.61 67.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.446 0.641 . . . . 0.0 109.664 178.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.95 -37.33 78.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.913 177.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -65.91 -47.85 73.41 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.319 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.416 ' HG3' ' O ' ' A' ' 24' ' ' PHE . 33.3 mtt -55.36 -42.13 73.49 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.907 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 0.4 OUTLIER -59.24 -58.54 8.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.437 177.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -57.09 -40.63 77.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.303 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.45 -55.0 10.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.334 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.66 ' HE2' HG23 ' A' ' 110' ' ' VAL . 11.1 ttm -62.9 -34.97 78.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.211 -177.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -75.25 -37.07 61.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.38 -179.348 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.82 -42.06 91.04 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 176.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 1.2 mp -71.15 -25.06 62.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.648 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -79.17 -40.94 29.6 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 177.753 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -72.47 168.6 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.3 0.571 . . . . 0.0 111.377 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.24 144.77 29.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.486 178.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -104.02 113.96 27.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.111 0.482 . . . . 0.0 110.711 -177.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 mm -93.65 127.03 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-O 121.198 0.523 . . . . 0.0 109.853 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.606 HG21 HG12 ' A' ' 47' ' ' ILE . 28.7 m -120.76 143.05 34.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.008 -176.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -102.28 -44.06 5.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.327 0.584 . . . . 0.0 109.72 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.74 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -126.99 162.44 25.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.787 -177.343 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -67.83 -24.13 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.93 -177.374 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.74 ' HG2' ' HB ' ' A' ' 43' ' ' THR . 0.4 OUTLIER -54.47 -44.37 72.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.277 0.56 . . . . 0.0 109.729 174.242 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -74.48 -34.44 63.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.471 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.677 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -64.06 -37.84 80.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 178.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -31.04 62.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.291 0.567 . . . . 0.0 109.482 179.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.06 -36.31 64.34 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 176.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -59.73 -43.97 93.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.899 -0.651 . . . . 0.0 110.365 174.017 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.677 HG12 ' O ' ' A' ' 47' ' ' ILE . 8.9 mm -61.63 -43.35 96.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.795 175.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 55' ' ' ASP . 16.5 m -62.12 -27.39 68.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.227 178.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.75 -5.14 38.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.996 0.427 . . . . 0.0 111.068 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -111.81 -31.6 6.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.071 0.462 . . . . 0.0 109.768 171.245 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 52' ' ' SER . 50.9 t0 -65.42 -50.3 65.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.794 176.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.548 ' HA ' ' OG ' ' A' ' 59' ' ' SER . 17.5 mm-40 -76.17 -15.44 60.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.245 0.545 . . . . 0.0 110.275 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.468 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 42.5 t80 -73.5 -32.01 64.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.297 -0.865 . . . . 0.0 108.834 173.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.758 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -73.74 -15.96 61.19 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.434 175.809 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.548 ' OG ' ' HA ' ' A' ' 56' ' ' GLN . 0.8 OUTLIER -89.03 -25.19 22.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -32.04 34.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.932 176.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.758 HD12 ' HE3' ' A' ' 58' ' ' LYS . 3.8 mt -53.02 -51.53 73.98 Favored Pre-proline 0 CA--C 1.54 0.579 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -175.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 9.5 Cg_endo -52.46 -36.91 71.75 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 122.504 2.136 . . . . 0.0 113.473 -178.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -88.72 -34.38 17.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.614 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.7 88.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.664 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.402 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 18.1 t70 -63.35 -38.98 93.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.434 0.635 . . . . 0.0 109.389 175.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 66' ' ' ARG . 10.5 mtp-105 -62.77 -38.76 91.87 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.313 176.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -60.2 -46.32 90.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.54 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.505 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -59.27 -37.21 77.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.386 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -71.04 -40.84 71.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.525 176.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.79 -15.21 61.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.456 -178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.472 HG21 HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -89.18 -38.93 11.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' ' 100' ' ' PRO . 2.2 mt -69.92 -28.23 65.42 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.165 174.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -60.52 -40.64 92.21 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.241 176.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.8 mt -65.42 -36.95 78.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.818 0.818 . . . . 0.0 109.834 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 78' ' ' ALA . 0.3 OUTLIER -77.87 -16.49 58.23 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.024 -177.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -61.79 -42.74 99.39 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.746 -175.827 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -87.28 -26.79 23.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.225 0.536 . . . . 0.0 109.869 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -79.09 -7.37 58.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.328 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -115.46 -30.08 6.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.088 174.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.567 ' HB3' ' O ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -60.88 -28.2 68.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.663 0.268 . . . . 0.0 110.801 -176.538 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.649 HD11 HD23 ' A' ' 89' ' ' LEU . 1.4 pp -64.7 -42.01 93.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.96 0.41 . . . . 0.0 110.33 176.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.95 -21.4 47.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.413 0.625 . . . . 0.0 110.418 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -77.37 -13.66 59.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.61 176.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.4 m -94.73 -44.8 7.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.121 0.486 . . . . 0.0 109.998 176.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.525 ' HB2' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -128.74 126.89 40.96 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 176.614 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.3 72.42 0.3 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.453 0.47 . . . . 0.0 110.253 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.525 HG23 ' HB2' ' A' ' 85' ' ' ASN . 2.2 pt -104.37 160.77 4.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.279 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.45 74.57 3.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.541 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.649 HD23 HD11 ' A' ' 81' ' ' ILE . 1.8 mp -20.23 -86.0 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 O-C-N 125.125 1.515 . . . . 0.0 113.733 -175.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.59 29.48 7.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.009 0.433 . . . . 0.0 110.56 178.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.56 -58.88 4.14 Favored Glycine 0 C--N 1.33 0.22 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.986 -177.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.47 -160.24 1.04 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -93.47 105.37 15.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -66.06 -58.24 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.538 2.158 . . . . 0.0 112.702 -176.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.493 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -120.14 -31.78 4.33 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.546 0.688 . . . . 0.0 109.367 -179.771 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.42 72.32 7.29 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.21 -0.905 . . . . 0.0 112.289 -177.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.6 m -67.34 -36.43 81.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.807 0.813 . . . . 0.0 109.49 170.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -63.32 123.53 16.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.241 176.226 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.41 ' H ' HD12 ' A' ' 102' ' ' ILE . 57.2 p -102.07 166.86 11.37 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.195 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.583 ' HB3' HD21 ' A' ' 72' ' ' LEU . 32.8 Cg_exo -60.41 -32.43 93.87 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.415 2.076 . . . . 0.0 111.171 172.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.27 -43.69 69.97 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.66 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.473 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 3.6 mt -56.28 -51.66 60.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.387 177.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.472 HD13 HG21 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -72.11 -37.52 60.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -175.629 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 7.5 t30 -76.76 -49.35 16.16 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.092 -0.38 . . . . 0.0 111.578 -176.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.2 m -68.79 -30.26 68.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.3 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 17.9 mtpt -71.41 -34.26 70.18 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.305 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.402 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 60.2 t-105 -62.59 -45.63 92.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.092 0.472 . . . . 0.0 109.947 175.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.37 -33.11 75.19 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.343 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.72 ' HA ' ' HG2' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -68.04 -37.39 81.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.5 175.113 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.66 HG23 ' HE2' ' A' ' 32' ' ' MET . 2.2 t -63.82 -48.94 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.738 177.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.556 HE22 HD13 ' A' ' 61' ' ' LEU . 36.0 mm-40 -61.9 -37.56 85.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.223 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.72 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 0.0 OUTLIER -76.37 -5.79 48.75 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.813 -178.093 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 109' ' ' LYS . 7.1 mt -102.41 -7.54 21.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.443 0.64 . . . . 0.0 110.28 176.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.603 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 69.6 t -71.91 -52.64 7.59 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.587 -175.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.603 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 40.6 Cg_exo -57.8 -46.83 23.92 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 122.554 2.169 . . . . 0.0 113.353 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -58.21 -37.1 74.14 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.971 0.415 . . . . 0.0 111.036 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.89 -39.22 56.84 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.224 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -30.82 70.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.22 0.533 . . . . 0.0 110.245 177.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -79.82 -44.15 21.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.134 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.25 83.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.813 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.431 HD22 HD13 ' A' ' 51' ' ' ILE . 31.7 mt -62.47 -47.24 84.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.295 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.709 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -63.03 -36.81 84.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.945 177.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -58.17 -48.7 79.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.742 0.306 . . . . 0.0 110.586 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.672 ' HB3' HD11 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -72.26 -41.88 66.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.875 -177.221 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.709 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.4 pt20 -62.28 -28.08 69.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.695 0.284 . . . . 0.0 111.119 -177.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 m -92.67 -4.62 52.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.207 0.527 . . . . 0.0 110.533 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -98.56 -0.16 43.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.161 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 124' ' ' GLU . 90.0 mm-40 -86.57 -134.54 0.07 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.72 178.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.096 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.37 -37.67 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.793 -0.239 . . . . 0.0 110.864 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -50.49 72.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -174.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.673 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -80.5 -6.59 58.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.695 0.283 . . . . 0.0 111.434 -173.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.46 -35.3 10.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.198 0.523 . . . . 0.0 109.829 178.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -68.34 -27.38 66.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.966 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -88.09 -31.73 19.08 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 175.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.598 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 17.3 tt0 -66.8 -39.98 87.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.629 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.8 82.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.93 -178.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 7' ' ' LEU . 1.5 pp -84.41 -6.56 10.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.18 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 1.5 t0 -87.95 -22.91 24.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.112 0.482 . . . . 0.0 110.171 175.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.559 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 96.7 mm-40 -89.97 -16.41 29.94 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 175.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.722 HD23 ' HB2' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -77.01 -41.37 43.01 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 112.846 -1.979 . . . . 0.0 108.501 167.446 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.555 ' CD2' ' HB1' ' A' ' 78' ' ' ALA . 12.5 m170 -55.37 -32.18 62.38 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.194 -0.912 . . . . 0.0 109.723 171.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' HE2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.76 -45.59 78.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.257 -179.13 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.56 -30.94 69.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.327 -179.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.486 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.2 t80 -69.65 -46.81 65.3 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.43 -11.58 60.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.217 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.641 ' HE2' HD13 ' A' ' 15' ' ' LEU . 1.6 mptp? -90.18 -31.19 17.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.831 176.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.773 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -94.89 -42.48 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.706 0.289 . . . . 0.0 111.675 -177.584 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 98' ' ' VAL . . . -70.75 -15.15 62.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.95 -178.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.798 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -74.48 -55.68 2.65 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.165 -175.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.798 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 15.1 Cg_exo -69.47 -26.81 28.57 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 121.76 1.64 . . . . 0.0 111.474 175.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.691 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.3 t80 -68.75 -41.91 78.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.424 177.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.556 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 64.1 t30 -69.81 -30.68 68.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.384 0.611 . . . . 0.0 109.5 178.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -71.99 -37.48 69.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.359 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 87.8 t90 -63.68 -45.48 89.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.604 175.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 56.7 mtt -62.77 -39.03 92.93 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.537 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 7.9 mm-40 -60.21 -48.27 82.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 177.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.0 m -62.15 -45.12 94.86 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.481 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.77 -49.52 65.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.8 ttm -63.51 -30.57 71.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 -177.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -85.27 -40.18 16.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.331 -179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.78 -45.83 91.06 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.599 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 5.8 mp -71.26 -23.22 61.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.034 -175.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -24.08 21.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.388 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -76.77 155.72 32.92 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.375 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.0 ttm -94.4 136.74 34.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.734 -177.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 121' ' ' LEU . 32.3 p90 -101.98 135.93 42.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.209 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 40' ' ' ILE . 5.7 tp -119.23 137.11 54.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 173.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.519 HG21 HG12 ' A' ' 47' ' ' ILE . 27.8 m -125.75 156.59 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.975 -175.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -115.17 -39.17 3.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.239 0.542 . . . . 0.0 109.829 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.557 ' HB ' ' OE1' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -130.46 172.11 12.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.688 -176.28 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -76.4 -25.63 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.108 0.48 . . . . 0.0 110.122 -179.178 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.557 ' OE1' ' HB ' ' A' ' 43' ' ' THR . 3.0 mp0 -56.97 -47.16 81.42 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.548 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -77.57 -25.56 50.12 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.084 178.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.776 HG13 ' HG3' ' A' ' 128' ' ' GLN . 0.1 OUTLIER -65.07 -38.37 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.443 -179.436 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -74.58 -29.64 61.41 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.479 ' N ' ' HG3' ' A' ' 48' ' ' GLU . . . -72.74 -38.59 56.72 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.561 -1.016 . . . . 0.0 110.561 178.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -53.06 -45.96 68.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.811 -0.695 . . . . 0.0 110.785 174.215 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.634 HG13 HE21 ' A' ' 125' ' ' GLN . 2.1 mm -68.88 -45.75 80.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.8 m -58.09 -40.24 80.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.522 0.201 . . . . 0.0 111.236 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -32.16 72.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 0.0 111.167 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -83.48 -34.43 25.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.344 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -67.11 -45.61 76.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.857 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -25.64 64.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.153 0.502 . . . . 0.0 109.827 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.543 ' HE2' HG22 ' A' ' 114' ' ' VAL . 58.6 t80 -69.15 -38.22 78.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.36 176.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.482 ' HE2' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -60.41 -26.32 66.6 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.238 174.056 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.61 -23.94 19.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 m -78.98 -20.73 48.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.096 0.474 . . . . 0.0 110.536 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.482 HD12 ' HE2' ' A' ' 58' ' ' LYS . 3.9 mt -58.33 -56.84 31.07 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.335 -177.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.2 Cg_endo -54.01 -33.34 72.55 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.062 1.841 . . . . 0.0 113.061 -177.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.84 -47.4 38.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.035 0.445 . . . . 0.0 110.567 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.72 -30.63 70.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.641 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.442 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 11.3 t0 -59.34 -44.74 92.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.302 177.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -36.17 83.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.792 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' OE1' ' HD3' ' A' ' 20' ' ' ARG . 45.5 mm-40 -62.51 -39.8 94.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.498 177.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.691 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -60.57 -41.22 94.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.966 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -36.58 65.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.995 0.426 . . . . 0.0 110.542 178.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.31 -14.97 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.773 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -86.14 -38.36 12.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.579 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.11 -24.62 65.05 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.301 173.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.73 -33.75 76.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.547 177.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 71' ' ' ILE . 7.8 mt -70.89 -43.55 76.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.564 0.697 . . . . 0.0 109.78 174.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -65.45 -18.76 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.918 -179.041 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -59.91 -48.13 82.95 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.732 0.301 . . . . 0.0 110.664 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.513 ' HB2' HD21 ' A' ' 13' ' ' LEU . 61.6 mm-40 -82.03 -26.3 33.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.331 0.586 . . . . 0.0 110.223 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.722 ' HB2' HD23 ' A' ' 13' ' ' LEU . . . -87.77 -1.94 58.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.938 -176.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -124.04 -34.07 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.764 177.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -58.35 -26.86 63.62 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.026 0.204 . . . . 0.0 111.282 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 1.3 pp -61.52 -44.19 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 0.0 110.262 176.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.73 -20.56 46.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.314 0.578 . . . . 0.0 110.313 -179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 79' ' ' GLN . 23.0 mt-10 -81.9 -13.22 57.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.625 177.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -99.66 -44.95 5.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.205 175.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.447 ' HB2' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -126.34 127.01 44.85 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.062 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.54 62.81 1.04 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.001 0.429 . . . . 0.0 110.605 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.447 HG23 ' HB2' ' A' ' 85' ' ' ASN . 2.4 pt -76.87 155.89 5.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.62 179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -86.21 82.17 8.14 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.85 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -51.29 161.68 0.41 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.492 175.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.46 96.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.984 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.64 -97.41 0.41 Allowed Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.095 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.7 m -148.77 -51.19 0.16 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 176.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.405 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -134.72 105.08 10.75 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.351 174.094 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 93' ' ' ASN . 18.2 Cg_endo -61.25 -65.46 0.07 OUTLIER 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.472 2.115 . . . . 0.0 111.787 179.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.59 ' CE2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -124.64 -25.37 4.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.636 0.732 . . . . 0.0 109.126 175.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.96 72.65 5.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.582 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 m -76.49 -38.19 55.65 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.845 0.831 . . . . 0.0 108.794 171.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.514 HG21 ' HB1' ' A' ' 21' ' ' ALA . 1.4 p -52.86 108.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.282 171.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.715 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -96.34 157.93 34.72 Favored Pre-proline 0 N--CA 1.447 -0.607 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.098 -174.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.715 ' HD2' HG22 ' A' ' 99' ' ' THR . 6.1 Cg_endo -50.35 -42.08 49.09 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.084 2.523 . . . . 0.0 112.706 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -38.24 83.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 0.0 110.517 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.635 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -61.84 -37.37 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.626 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.67 -34.75 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.852 0.358 . . . . 0.0 111.499 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -73.64 -49.03 28.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.791 0.329 . . . . 0.0 111.446 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 70.8 m -67.78 -33.23 74.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.064 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 0.8 OUTLIER -64.0 -48.86 74.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.264 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.442 ' CZ2' ' HB2' ' A' ' 65' ' ' ASP . 61.2 t-105 -55.22 -44.33 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.403 176.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -43.85 87.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.138 -178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 4.7 mmtt -75.62 -29.0 59.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.665 -178.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.64 -43.27 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.133 0.492 . . . . 0.0 109.823 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.478 ' NE2' HD13 ' A' ' 61' ' ' LEU . 21.9 mm-40 -60.27 -44.02 95.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.734 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 109' ' ' LYS . 0.1 OUTLIER -74.87 -12.57 60.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.519 -175.243 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.475 ' HG ' HE21 ' A' ' 112' ' ' GLN . 1.7 mt -89.54 -16.89 29.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.961 0.41 . . . . 0.0 110.503 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.721 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 89.7 t -60.09 -57.07 29.41 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.069 -177.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.721 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 35.3 Cg_exo -61.9 -36.73 70.73 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.532 2.154 . . . . 0.0 112.772 -176.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -47.45 85.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.976 0.417 . . . . 0.0 110.559 -179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -69.57 -34.55 74.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.929 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -63.9 -32.48 74.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.159 0.504 . . . . 0.0 110.034 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -76.33 -43.2 42.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.182 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.58 -35.96 82.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.556 179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 50' ' ' LEU . 18.5 mt -67.42 -53.77 26.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.195 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.714 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.2 OUTLIER -64.91 -34.26 77.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.774 -175.122 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -52.3 66.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.575 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -74.91 -33.93 62.07 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.127 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.714 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -61.55 -31.81 71.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.339 . . . . 0.0 110.73 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.514 ' N ' ' HG3' ' A' ' 125' ' ' GLN . 3.3 m -87.34 8.18 25.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.02 0.438 . . . . 0.0 111.011 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -109.37 -13.15 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.023 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.776 ' HG3' HG13 ' A' ' 47' ' ' ILE . 70.0 mm-40 -87.61 -43.67 11.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.42 0.629 . . . . 0.0 111.271 -175.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.294 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.434 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 112.36 -0.296 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.91 5.98 15.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.782 0.325 . . . . 0.0 111.07 178.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -41.82 68.37 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -175.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.682 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -70.51 -20.65 62.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.304 -175.759 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -97.2 -25.89 15.13 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -178.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -68.92 -39.51 79.59 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.492 173.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -83.33 -30.8 27.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.199 -178.181 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.682 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -76.25 -27.91 56.91 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.803 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.01 -41.85 85.95 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.687 HD11 HD21 ' A' ' 89' ' ' LEU . 1.6 pp -84.18 -5.49 9.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.227 178.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.2 t70 -85.3 -18.73 33.02 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.793 172.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 65.3 mm-40 -88.1 -29.32 20.7 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' A' ' 78' ' ' ALA . 0.6 OUTLIER -66.16 -38.21 87.51 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 112.957 -1.928 . . . . 0.0 109.395 169.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 5.0 m170 -53.79 -32.34 52.2 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 114.763 -1.108 . . . . 0.0 110.945 177.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.622 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -61.26 -40.31 93.61 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.568 -179.161 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.73 -30.83 70.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.896 0.379 . . . . 0.0 110.201 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.45 ' CD1' HG21 ' A' ' 96' ' ' THR . 2.0 t80 -69.9 -47.86 60.86 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 175.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.579 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -64.89 -32.74 74.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.49 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -11.76 56.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.921 0.391 . . . . 0.0 111.015 -174.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.551 ' HB3' HD11 ' A' ' 71' ' ' ILE . 0.0 OUTLIER -109.01 -39.94 5.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.355 178.308 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -71.29 -17.16 62.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.099 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.503 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -71.84 -59.69 2.8 Favored Pre-proline 0 C--N 1.33 -0.268 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.85 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.503 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 37.0 Cg_endo -68.39 -23.24 38.25 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.277 1.318 . . . . 0.0 111.555 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.612 ' HE2' ' HB2' ' A' ' 68' ' ' ARG . 1.7 t80 -72.82 -41.47 64.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.545 178.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.524 ' OD1' ' HE2' ' A' ' 106' ' ' LYS . 3.1 t30 -74.08 -20.87 60.14 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.499 0.666 . . . . 0.0 109.934 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -76.93 -44.48 31.35 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.905 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.8 t90 -59.23 -51.56 69.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.645 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.57 ' HE3' ' O ' ' A' ' 103' ' ' ILE . 2.2 mmt -55.4 -41.88 73.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.458 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.56 -44.85 66.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.091 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.7 m -66.45 -38.33 87.12 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.609 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.24 -43.81 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.47 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 10.6 ttm -66.18 -29.27 69.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.397 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -68.53 -46.07 70.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.596 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.97 -43.14 95.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.996 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -67.88 -33.66 75.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.153 -178.375 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -81.52 -35.23 30.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.696 -178.051 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.42 139.37 58.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.546 -174.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.23 111.39 20.97 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.395 177.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -78.65 136.48 37.48 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.343 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 40' ' ' ILE . 9.0 tp -110.47 133.01 57.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.523 HG12 HD11 ' A' ' 50' ' ' LEU . 33.2 m -125.13 151.31 30.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.102 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -118.95 -41.88 2.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.314 0.578 . . . . 0.0 109.452 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.87 171.45 10.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.996 -175.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.645 ' HA ' HD13 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -69.78 -26.85 31.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.384 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.544 ' N ' HG13 ' A' ' 44' ' ' ILE . 1.3 mt-10 -52.28 -44.79 65.17 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.178 177.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -71.31 -37.27 71.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.593 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.645 HD13 ' HA ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -70.15 -21.09 23.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 109.948 179.241 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.54 9.39 18.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.913 172.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.08 -62.89 0.3 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.504 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD11 HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -75.53 -4.42 39.73 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -175.522 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.714 HG12 ' HB3' ' A' ' 121' ' ' LEU . 15.7 mt -88.63 -43.5 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -31.13 71.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 178.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.41 -34.95 76.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.688 175.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 49.7 t60 -83.27 -25.22 31.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.356 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -67.94 -51.82 43.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -65.21 -23.51 67.1 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.631 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -62.54 -33.56 75.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.038 175.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.731 ' HE3' HD12 ' A' ' 61' ' ' LEU . 3.2 mmmm -71.6 -17.64 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.629 177.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.46 -31.91 17.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.461 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.13 -25.43 58.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.884 0.373 . . . . 0.0 111.022 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.731 HD12 ' HE3' ' A' ' 58' ' ' LYS . 2.9 mt -57.08 -55.89 39.25 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -176.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 10.6 Cg_endo -54.28 -33.05 74.14 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.38 2.054 . . . . 0.0 113.582 -176.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -81.59 -45.64 15.56 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.823 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.47 75.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.121 0.486 . . . . 0.0 110.669 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -61.06 -48.41 81.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.82 175.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -43.05 99.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.683 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.53 -36.43 83.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.249 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.612 ' HB2' ' HE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -58.75 -39.78 81.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.001 0.429 . . . . 0.0 110.406 178.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -73.74 -34.11 64.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.251 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.67 -10.91 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.092 0.472 . . . . 0.0 110.875 178.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.684 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -88.98 -40.04 12.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 176.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.79 -29.91 71.06 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.348 173.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.97 99.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.99 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 71' ' ' ILE . 10.1 mt -63.18 -44.39 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.726 . . . . 0.0 110.208 177.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.52 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 0.0 OUTLIER -69.57 -16.92 63.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.292 -176.144 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -51.41 70.07 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.26 0.552 . . . . 0.0 109.925 176.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.449 ' HA ' ' HD2' ' A' ' 80' ' ' ARG . 1.1 mp0 -75.04 -33.09 61.71 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.211 -179.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 75' ' ' HIS . . . -81.15 -4.55 55.74 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.809 -177.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.52 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -115.53 -34.29 4.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.523 0.201 . . . . 0.0 111.119 177.574 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.449 ' HD2' ' HA ' ' A' ' 77' ' ' GLU . 11.1 ptm180 -56.0 -30.46 61.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.79 -176.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.579 HD11 HD11 ' A' ' 89' ' ' LEU . 1.9 pp -67.61 -36.06 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.875 0.369 . . . . 0.0 110.631 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.97 -22.3 36.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.122 0.487 . . . . 0.0 110.393 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 51.0 mm-40 -80.62 -20.74 42.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.251 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.2 m -90.03 -43.79 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.659 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.491 ' HB2' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -119.53 126.0 50.2 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 176.435 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -76.21 64.06 1.97 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.341 0.591 . . . . 0.0 110.284 -176.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.491 HG23 ' HB2' ' A' ' 85' ' ' ASN . 2.3 pt -91.17 -177.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.329 -178.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.64 92.44 3.79 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 175.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.687 HD21 HD11 ' A' ' 10' ' ' ILE . 5.0 mt -55.74 176.67 0.06 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.005 178.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.92 86.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.527 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.18 -152.7 48.98 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -172.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.14 -29.15 28.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 171.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -178.9 117.07 0.23 Allowed Pre-proline 0 CA--C 1.517 -0.295 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.294 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.82 -31.64 15.48 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.33 2.02 . . . . 0.0 112.667 -172.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.622 ' HE2' HD22 ' A' ' 15' ' ' LEU . 2.6 m-85 -107.55 -39.7 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.011 0.434 . . . . 0.0 110.796 -173.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.579 ' HB ' ' HA ' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -126.26 88.21 2.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 0.0 111.08 -175.126 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 61.0 m -60.61 -24.48 65.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.45 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.442 HG13 ' OG1' ' A' ' 96' ' ' THR . 0.6 OUTLIER -55.17 128.46 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.742 177.033 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.616 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -98.53 160.19 28.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.343 179.217 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.616 ' HD2' HG22 ' A' ' 99' ' ' THR . 9.3 Cg_endo -52.94 -41.21 72.72 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.94 2.427 . . . . 0.0 112.415 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -69.85 -36.64 75.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.348 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.18 -43.07 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.3 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.57 ' O ' ' HE3' ' A' ' 28' ' ' MET . 0.3 OUTLIER -79.28 -34.88 16.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.326 -177.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -72.2 -44.11 63.49 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.891 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.5 m -63.81 -33.15 75.03 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.019 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.524 ' HE2' ' OD1' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -64.34 -45.22 88.78 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.864 0.364 . . . . 0.0 110.618 177.04 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -60.28 -41.22 92.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.216 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -40.05 93.52 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.367 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -64.87 -43.39 93.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.289 176.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 114' ' ' VAL . 40.1 t -59.11 -48.8 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.373 177.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -56.18 -49.26 74.51 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.788 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.511 HE21 ' HG ' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -71.57 -16.03 62.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.687 -174.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.511 ' HG ' HE21 ' A' ' 112' ' ' GLN . 0.7 OUTLIER -91.44 -14.62 30.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.824 0.345 . . . . 0.0 110.692 179.177 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 110' ' ' VAL . 48.4 t -60.91 -57.46 26.29 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.517 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 28.5 Cg_endo -63.59 -30.11 70.45 Favored 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.179 1.92 . . . . 0.0 112.501 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -53.38 49.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.029 0.442 . . . . 0.0 110.382 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.67 ' HE ' HD11 ' A' ' 121' ' ' LEU . 2.8 tpt180 -69.06 -32.79 72.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.416 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -34.7 77.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.083 0.468 . . . . 0.0 109.844 177.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -76.33 -44.91 34.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.936 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.22 -40.21 89.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.714 ' HB3' HG12 ' A' ' 51' ' ' ILE . 22.1 mt -66.08 -51.55 57.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.81 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.17 -43.77 98.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.284 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.86 -39.28 88.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 110.893 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -47.06 61.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.075 -178.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.557 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -67.97 -22.22 65.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.637 178.653 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.5 m -78.48 -25.18 45.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.964 0.412 . . . . 0.0 110.171 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -19.24 61.35 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.135 0.493 . . . . 0.0 109.899 173.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -104.8 -147.84 0.4 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.003 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.197 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.74 -45.84 9.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.801 0.301 . . . . 0.0 111.593 -176.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -57.02 -56.26 24.08 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -172.022 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.583 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 21.9 mp0 -61.84 -27.3 68.68 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -176.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -87.46 -29.64 21.26 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -63.69 -44.12 94.62 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.915 172.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 4' ' ' GLU . 2.8 pp -79.55 -29.0 41.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.716 -177.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.583 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 2.6 tt0 -70.36 -33.6 71.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.858 0.361 . . . . 0.0 110.513 178.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.23 -42.81 54.56 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.192 0.52 . . . . 0.0 110.258 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.524 ' HA ' HD21 ' A' ' 13' ' ' LEU . 1.1 pt -77.6 -13.17 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.168 -178.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.4 t0 -71.14 -20.81 62.27 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 173.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -75.06 -34.73 61.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.373 177.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.676 HD12 ' HB2' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -85.05 -16.55 40.31 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 175.374 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 3.6 m170 -57.03 -31.75 65.46 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 171.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.594 HD13 ' CD2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -63.13 -39.42 94.63 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.992 178.467 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -36.68 85.09 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.296 0.569 . . . . 0.0 110.131 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.456 ' CD1' HG21 ' A' ' 96' ' ' THR . 2.4 t80 -64.18 -48.37 76.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.768 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.654 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -65.7 -30.32 70.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.325 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.527 ' HE2' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -79.02 -23.15 44.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.349 -176.71 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.634 ' HB3' HD11 ' A' ' 71' ' ' ILE . 8.7 mtt180 -104.29 -34.75 8.22 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.571 -177.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -67.1 -23.7 65.86 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 177.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.55 -60.14 6.03 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.681 -176.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.463 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 39.2 Cg_endo -67.79 -27.43 37.64 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 121.761 1.641 . . . . 0.0 111.718 179.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.407 ' HE1' ' HB1' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -69.1 -39.53 78.92 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.514 179.401 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 1.5 t-20 -71.19 -27.25 63.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.305 0.574 . . . . 0.0 109.844 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -68.27 -43.47 77.71 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.393 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -68.36 -51.3 45.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.987 -1.006 . . . . 0.0 110.371 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.519 ' SD ' ' HB3' ' A' ' 106' ' ' LYS . 3.6 mtt -54.49 -46.06 73.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.844 -178.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.22 -48.36 70.81 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.839 -178.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 m -65.87 -39.14 90.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.062 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.8 -53.37 18.58 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.093 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.49 ' HE2' HG23 ' A' ' 110' ' ' VAL . 34.9 ttm -56.05 -45.12 79.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.267 -179.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 7.0 mm-40 -73.42 -29.17 62.4 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -176.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -75.73 -34.87 60.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.071 0.462 . . . . 0.0 109.956 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mp -67.78 -34.77 77.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.986 -173.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.427 ' H ' ' HG2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -90.91 -18.81 24.12 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 33' ' ' GLU . 6.6 t0 -67.46 159.02 30.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.208 0.528 . . . . 0.0 111.721 -173.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -80.87 101.66 9.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.323 -177.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -78.23 138.24 38.54 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.852 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.0 tp -115.85 130.0 71.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.447 0.642 . . . . 0.0 110.569 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.08 155.98 38.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.742 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -102.89 -61.58 1.38 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.988 0.423 . . . . 0.0 110.322 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.87 171.74 7.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.482 -175.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.468 HD12 HE21 ' A' ' 129' ' ' GLN . 0.0 OUTLIER -64.1 -31.5 53.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-O 121.123 0.487 . . . . 0.0 110.736 177.216 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -54.13 -40.06 67.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.071 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.41 -40.46 77.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.165 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.763 HD11 ' HG3' ' A' ' 124' ' ' GLU . 0.0 OUTLIER -62.14 -33.74 60.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.238 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -16.79 64.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.947 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.11 -44.71 1.24 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.572 176.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -50.01 75.5 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 123.806 0.842 . . . . 0.0 111.396 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.614 HG12 ' HB3' ' A' ' 121' ' ' LEU . 31.0 mt -65.54 -36.04 76.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.975 0.417 . . . . 0.0 110.434 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.3 m -64.47 -21.8 66.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.248 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.23 -21.72 65.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.071 0.462 . . . . 0.0 110.251 175.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.438 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 14.1 t60 -91.93 -28.94 16.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.593 174.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.51 -54.62 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.551 175.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -68.97 -21.11 64.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.121 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.438 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 26.2 t80 -66.42 -33.85 76.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.227 175.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.712 ' HE3' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -69.03 -17.64 63.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.664 175.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.54 -27.67 17.25 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.608 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.88 -19.32 52.2 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 111.218 174.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.712 HD12 ' HE3' ' A' ' 58' ' ' LYS . 3.0 mt -57.94 -54.9 50.69 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -177.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 14.8 Cg_endo -57.22 -30.07 85.98 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.084 1.856 . . . . 0.0 112.772 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -73.92 -50.1 21.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.243 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.407 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -68.18 -33.32 74.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.114 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.74 -41.62 95.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.107 0.48 . . . . 0.0 110.08 177.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -43.75 91.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.618 178.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -58.63 -41.21 85.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.244 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.497 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.1 OUTLIER -63.0 -34.96 78.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.583 0.23 . . . . 0.0 110.918 -178.164 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.74 -32.3 31.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.735 0.302 . . . . 0.0 110.505 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.67 -21.75 61.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.414 0.626 . . . . 0.0 110.53 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.634 HD11 ' HB3' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -82.83 -38.57 14.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.744 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mt -65.44 -32.36 73.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.675 172.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 76' ' ' LYS . . . -64.14 -45.86 86.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.689 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.05 -40.08 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.295 0.569 . . . . 0.0 110.525 176.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.674 ' CE1' ' HG3' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -75.66 -13.64 60.33 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -178.749 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -64.16 -44.7 91.31 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.88 -35.03 44.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.444 0.64 . . . . 0.0 109.844 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.676 ' HB2' HD12 ' A' ' 13' ' ' LEU . . . -80.93 -0.12 37.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.775 -175.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.642 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -122.25 -35.6 3.1 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 176.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -27.15 65.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.835 0.35 . . . . 0.0 111.42 -175.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 pp -71.88 -31.07 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.292 0.568 . . . . 0.0 110.394 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.45 -16.06 35.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.842 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 10.5 mm-40 -81.64 -21.71 38.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.336 178.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 m -100.94 -26.35 13.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.654 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -125.33 136.02 53.05 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -77.95 68.82 4.07 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.315 0.578 . . . . 0.0 109.473 178.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.676 HG22 HG22 ' A' ' 3' ' ' THR . 3.0 pt -73.87 170.64 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.007 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.69 81.26 1.41 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.213 -176.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.507 ' HG ' HD11 ' A' ' 87' ' ' ILE . 8.3 mt -67.14 -25.85 66.38 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.407 176.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.2 m 59.78 46.88 10.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.955 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.85 -158.67 25.76 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.816 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.04 -38.43 16.55 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.335 0.588 . . . . 0.0 109.808 177.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.453 ' OD1' ' HD2' ' A' ' 94' ' ' PRO . 0.9 OUTLIER -174.38 141.59 0.78 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.807 -179.641 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.453 ' HD2' ' OD1' ' A' ' 93' ' ' ASN . 54.9 Cg_endo -72.05 -37.31 4.92 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.204 1.936 . . . . 0.0 113.012 -178.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.594 ' CD2' HD13 ' A' ' 15' ' ' LEU . 3.9 m-85 -106.31 -40.98 5.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.374 -175.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.654 ' HB ' ' HA ' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -120.39 88.52 2.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.049 0.452 . . . . 0.0 110.803 -174.087 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.4 m -54.61 -33.94 61.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.306 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -51.61 125.55 5.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.87 176.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.674 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -99.03 159.26 30.66 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.557 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.674 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 11.5 Cg_endo -54.94 -42.66 66.86 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.219 2.613 . . . . 0.0 112.445 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -68.08 -36.64 80.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.991 0.425 . . . . 0.0 110.175 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 1.2 mp -63.09 -38.08 81.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.474 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.465 ' O ' ' HE1' ' A' ' 28' ' ' MET . 0.3 OUTLIER -83.28 -34.9 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.212 -179.674 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.497 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 1.3 t-20 -70.49 -51.49 28.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.594 0.235 . . . . 0.0 111.27 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.9 m -67.33 -23.96 65.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 111.132 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.519 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 2.4 mttt -70.83 -42.19 70.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 0.0 110.027 176.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -58.39 -41.95 86.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.972 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.4 -41.03 93.0 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.428 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.455 ' O ' HD12 ' A' ' 113' ' ' LEU . 19.7 mttm -66.22 -28.54 68.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.769 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 114' ' ' VAL . 2.2 t -72.48 -45.16 60.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.135 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.433 ' NE2' HD13 ' A' ' 61' ' ' LEU . 32.0 mm-40 -62.37 -43.71 98.17 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.131 -176.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -22.63 67.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.579 -176.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 109' ' ' LYS . 7.5 mt -89.48 -12.89 38.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 110' ' ' VAL . 99.5 t -65.86 -56.54 17.17 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 119.05 -0.5 . . . . 0.0 112.191 -175.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.91 -32.38 55.0 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.016 1.811 . . . . 0.0 112.258 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.2 -46.62 76.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.192 0.52 . . . . 0.0 110.051 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 117' ' ' ARG . 4.8 tpt180 -65.71 -37.67 87.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.415 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -36.98 66.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.687 175.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -78.95 -39.9 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.87 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.2 86.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.087 0.47 . . . . 0.0 110.57 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.614 ' HB3' HG12 ' A' ' 51' ' ' ILE . 12.8 mt -66.61 -46.42 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.709 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.797 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -64.32 -38.36 90.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.403 -179.122 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -42.82 86.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.036 0.446 . . . . 0.0 110.67 178.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.763 ' HG3' HD11 ' A' ' 47' ' ' ILE . 7.2 tp10 -71.07 -47.0 60.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.588 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.797 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -67.02 -20.78 65.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.475 -176.852 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 47.1 m -80.73 -12.36 59.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.995 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -93.77 -8.98 39.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.316 0.579 . . . . 0.0 109.819 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -84.89 -132.02 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.464 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.468 HE21 HD12 ' A' ' 44' ' ' ILE . 4.8 pt20 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.244 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.841 -0.504 . . . . 0.0 111.841 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -123.06 30.55 6.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.035 0.445 . . . . 0.0 110.468 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.719 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER 65.9 6.52 4.06 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.505 176.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.51 ' HB2' ' HE3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -58.46 -32.9 69.17 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.839 0.352 . . . . 0.0 111.936 -172.153 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.51 ' HE3' ' HB2' ' A' ' 4' ' ' GLU . 2.3 mmtp -83.6 -27.28 29.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.104 0.478 . . . . 0.0 109.779 -175.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.572 ' HB2' HG22 ' A' ' 3' ' ' THR . 46.7 mt-30 -79.53 -24.78 41.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.701 176.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.719 ' HG ' ' O ' ' A' ' 3' ' ' THR . 16.6 mt -78.7 -50.44 11.4 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 121.446 0.641 . . . . 0.0 109.884 177.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.06 -40.09 82.87 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.674 -171.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.44 78.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.239 0.542 . . . . 0.0 110.53 -175.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.618 HD13 HD11 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -93.62 -7.88 10.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.691 -177.797 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 2.9 t0 -80.54 -27.38 37.61 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -67.37 -34.54 77.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.101 171.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 77' ' ' GLU . 37.3 mt -69.34 -33.76 73.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.493 173.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 39.7 m170 -61.54 -39.07 89.73 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 174.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.682 HD22 ' HE2' ' A' ' 95' ' ' TYR . 0.1 OUTLIER -60.84 -44.88 96.37 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.175 176.15 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.24 -32.85 74.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.593 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -70.63 -45.82 64.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.88 -23.95 66.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.615 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 -22.13 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.486 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' HB3' HD11 ' A' ' 71' ' ' ILE . 4.4 mtm180 -105.43 -33.67 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.627 -176.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -74.79 -18.28 60.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.641 0.258 . . . . 0.0 110.33 177.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -67.85 -56.55 11.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.465 -177.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.458 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 36.6 Cg_endo -68.52 -28.42 32.02 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 121.515 1.477 . . . . 0.0 111.904 177.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CE1' ' HB1' ' A' ' 64' ' ' ALA . 2.4 t80 -66.72 -43.51 84.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.849 0.357 . . . . 0.0 110.103 177.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.3 t-20 -68.75 -30.21 68.78 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-O 121.31 0.576 . . . . 0.0 109.903 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 23' ' ' PRO . 3.9 m-80 -70.1 -38.07 75.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.474 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -66.71 -48.02 70.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.539 176.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 53.2 mtm -60.16 -41.99 93.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.198 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 33' ' ' GLU . 4.7 mm-40 -70.98 -18.24 62.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.293 -177.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.6 m -93.55 -41.91 9.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.016 0.436 . . . . 0.0 110.135 176.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.37 -56.09 5.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.765 -176.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.4 ttm -62.68 -35.19 78.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.652 -177.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -71.04 -39.81 72.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.453 -178.524 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -73.03 -37.34 66.95 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.66 -31.37 71.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.33 -40.57 30.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.453 176.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.4 133.75 56.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.357 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.78 110.06 15.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 110.613 -177.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -69.04 129.76 40.83 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.16 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 tp -107.17 131.64 56.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.605 HG12 ' HG3' ' A' ' 46' ' ' GLU . 3.0 m -126.56 98.09 4.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.516 0.674 . . . . 0.0 110.243 -177.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -75.58 -22.62 56.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.28 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -134.29 155.05 50.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.738 -177.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.511 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -75.07 -21.66 16.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.084 0.469 . . . . 0.0 110.738 -177.379 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -59.49 -37.1 77.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.924 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.605 ' HG3' HG12 ' A' ' 41' ' ' VAL . 1.1 pt-20 -85.58 -10.35 56.02 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.466 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.755 ' O ' HG12 ' A' ' 51' ' ' ILE . 28.6 mt -69.96 -46.99 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -61.94 -30.74 71.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.199 0.523 . . . . 0.0 110.344 -178.463 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.32 -43.22 21.03 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.503 HD23 ' CG1' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -55.66 -44.37 77.18 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.543 0.337 . . . . 0.0 111.315 176.634 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.755 HG12 ' O ' ' A' ' 47' ' ' ILE . 9.0 mm -63.93 -47.03 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.729 0.3 . . . . 0.0 110.339 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -62.7 -30.42 71.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.03 71.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.047 177.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -88.13 -25.66 22.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 110.121 177.215 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.37 -53.52 42.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.278 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -67.28 -24.18 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.192 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.42 ' HB3' ' HA ' ' A' ' 54' ' ' HIS . 46.0 t80 -65.84 -37.96 87.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.825 178.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.51 -11.37 60.77 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.701 176.318 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.99 -28.85 14.45 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.706 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.56 -25.64 50.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.868 0.366 . . . . 0.0 110.795 173.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' A' ' 62' ' ' PRO . 1.6 mt -54.55 -57.31 19.4 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.63 -177.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 61' ' ' LEU . 13.7 Cg_endo -57.01 -33.37 95.53 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.927 1.751 . . . . 0.0 112.415 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -69.84 -49.98 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.063 0.459 . . . . 0.0 110.462 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -71.23 -30.34 66.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.906 -179.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -59.21 -46.36 88.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.083 0.468 . . . . 0.0 110.623 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -69.42 -29.9 67.72 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.359 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.22 -38.16 87.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.569 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.24 -32.58 72.38 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.251 0.548 . . . . 0.0 110.413 177.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -43.58 28.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.249 177.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.92 -21.24 64.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.89 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -82.64 -37.24 14.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.527 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.484 HD21 ' HA ' ' A' ' 100' ' ' PRO . 1.5 mt -71.09 -20.91 62.29 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.424 174.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.67 -41.66 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.217 175.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 71' ' ' ILE . 31.3 mt -65.39 -45.24 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.14 175.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.39 -20.6 64.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.12 -45.26 94.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.567 ' HB3' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -78.37 -31.71 48.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.078 0.466 . . . . 0.0 110.173 -179.401 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.88 -7.92 57.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.928 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.549 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -111.37 -37.72 5.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.41 174.415 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -48.52 -45.08 36.74 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 121.459 0.647 . . . . 0.0 111.911 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.618 HD11 HD13 ' A' ' 10' ' ' ILE . 1.4 pp -51.25 -47.21 33.65 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.963 176.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.17 -22.45 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 111.067 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 79' ' ' GLN . 10.2 mm-40 -76.96 -29.28 55.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.987 176.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 61.3 m -83.6 -50.54 8.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.759 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.77 131.67 52.45 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -71.31 73.59 0.7 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.32 0.581 . . . . 0.0 110.523 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.481 HD11 ' HG ' ' A' ' 89' ' ' LEU . 1.1 pt -79.05 -172.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.819 177.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.25 86.01 2.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.086 0.47 . . . . 0.0 110.281 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.481 ' HG ' HD11 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -63.99 165.3 9.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.718 177.582 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.503 ' HB2' ' HB3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -73.99 71.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.143 0.497 . . . . 0.0 110.319 175.549 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.68 -135.62 18.46 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -174.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.53 -34.62 11.4 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -172.25 117.59 0.41 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.412 176.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.503 ' HB3' ' HB2' ' A' ' 90' ' ' SER . 87.9 Cg_endo -79.37 -26.81 4.71 Favored 'Trans proline' 0 C--N 1.334 -0.229 0 C-N-CA 123.339 2.692 . . . . 0.0 112.857 -171.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.682 ' HE2' HD22 ' A' ' 15' ' ' LEU . 9.1 m-85 -102.92 -50.26 3.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.846 -173.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.522 HG23 HG13 ' A' ' 98' ' ' VAL . 1.1 m -128.79 96.38 4.36 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.1 m -80.71 68.28 6.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.545 0.688 . . . . 0.0 111.656 -175.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.522 HG13 HG23 ' A' ' 96' ' ' THR . 1.4 m -125.98 152.58 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.898 174.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.524 ' HB ' ' HD2' ' A' ' 100' ' ' PRO . 23.0 p -110.06 167.52 8.97 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.607 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.532 ' O ' ' HB2' ' A' ' 104' ' ' ASN . 17.1 Cg_endo -59.04 -24.69 74.68 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.505 2.137 . . . . 0.0 111.132 173.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -75.09 -49.01 21.04 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.714 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.419 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 4.4 mt -54.77 -49.31 69.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.738 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.01 -38.36 82.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.944 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.532 ' HB2' ' O ' ' A' ' 100' ' ' PRO . 1.3 t-20 -83.36 -46.38 12.64 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -175.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.3 m -65.99 -35.49 80.73 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.302 -0.159 . . . . 0.0 111.096 -178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 102' ' ' ILE . 9.8 mtpp -65.66 -39.75 91.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.539 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 65.8 t-105 -61.33 -44.22 97.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.472 175.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -42.64 98.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.548 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -64.73 -38.1 89.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.635 178.277 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.641 ' O ' HG23 ' A' ' 114' ' ' VAL . 3.2 t -58.83 -49.12 84.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.982 176.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 107' ' ' TRP . 79.4 mm-40 -60.92 -45.51 94.35 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.007 -176.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 109' ' ' LYS . 1.8 pt20 -69.45 -22.58 63.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -175.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.62 -8.45 56.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.186 0.517 . . . . 0.0 110.774 178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 110' ' ' VAL . 55.0 t -67.32 -56.7 12.2 Favored Pre-proline 0 N--CA 1.448 -0.552 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.726 -178.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' A' ' 119' ' ' HIS . 35.4 Cg_endo -65.52 -29.34 52.96 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 121.924 1.749 . . . . 0.0 111.722 177.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -63.21 -48.86 76.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.203 0.525 . . . . 0.0 109.999 176.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -66.5 -42.69 87.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.618 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' HD12 ' A' ' 121' ' ' LEU . 19.2 t70 -61.12 -29.27 69.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.201 0.524 . . . . 0.0 110.641 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 115' ' ' PRO . 1.5 t-160 -76.87 -46.13 25.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.795 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.83 76.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.811 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.504 HD22 HD13 ' A' ' 51' ' ' ILE . 19.1 mt -61.04 -51.93 67.09 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.737 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.544 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.4 OUTLIER -67.03 -39.32 86.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.576 178.346 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -63.48 -39.32 94.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.761 179.276 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -51.83 54.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.954 178.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.544 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 2.4 pt20 -64.01 -23.82 67.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.49 -12.78 60.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 111.16 178.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 123' ' ' GLU . 17.8 mttm -92.38 -12.83 31.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.182 0.515 . . . . 0.0 109.873 175.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -102.65 -128.89 0.23 Allowed 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.788 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.135 -0.936 . . . . 0.0 109.828 -178.617 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.359 -0.296 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.73 48.57 1.61 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.05 0.452 . . . . 0.0 110.567 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.04 90.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.427 -176.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -69.18 -18.45 63.92 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.329 -175.213 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 mttm -91.1 -30.98 16.42 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -177.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -67.05 -39.28 86.89 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.869 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 10' ' ' ILE . 1.7 pp -84.56 -26.9 27.68 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.142 -178.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.587 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -73.72 -35.97 65.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.699 0.285 . . . . 0.0 110.4 178.773 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.46 82.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.104 0.478 . . . . 0.0 110.184 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.669 HG21 HG21 ' A' ' 81' ' ' ILE . 1.3 pp -81.81 -16.32 12.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.695 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 14' ' ' HIS . 4.4 t70 -79.82 -26.5 40.47 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 175.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 21.3 mm-40 -74.5 -11.25 60.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.733 176.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -107.91 -5.05 17.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.148 0.499 . . . . 0.0 109.843 169.824 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.532 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -60.97 -36.39 79.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.218 174.213 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.887 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -80.25 -19.62 46.4 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.87 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.1 tp10 -64.82 -42.74 94.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.843 175.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 0.1 OUTLIER -60.45 -44.82 95.46 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 173.311 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.537 ' HB2' HG23 ' A' ' 96' ' ' THR . . . -70.52 -18.97 62.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.643 -178.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -33.68 40.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.811 0.338 . . . . 0.0 110.608 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HD2' ' OE2' ' A' ' 16' ' ' GLU . 3.8 mtp180 -89.26 -32.29 17.46 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.678 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 25' ' ' ASN . . . -68.88 -20.11 64.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.494 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -66.11 -59.51 8.6 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.428 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 22' ' ' ALA . 41.3 Cg_endo -68.61 -25.2 34.73 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 121.685 1.59 . . . . 0.0 111.977 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.59 -40.58 69.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.918 0.389 . . . . 0.0 110.324 177.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 3.9 t-20 -72.3 -27.96 62.79 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.39 0.614 . . . . 0.0 109.725 178.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -67.92 -42.1 81.57 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.19 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -68.35 -52.1 36.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.254 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.559 ' HE1' HG13 ' A' ' 103' ' ' ILE . 21.3 mtm -56.25 -44.8 80.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.348 -177.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -65.95 -44.37 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.955 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -70.96 -39.27 72.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.73 0.3 . . . . 0.0 110.722 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.05 -45.82 66.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.942 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.493 ' O ' ' HB2' ' A' ' 36' ' ' GLN . 12.7 ttm -62.2 -34.82 77.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.448 . . . . 0.0 110.334 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -72.23 -46.29 56.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.379 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -66.26 -38.86 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.01 0.433 . . . . 0.0 110.064 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 113' ' ' LEU . 4.4 mp -72.21 -18.3 61.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.881 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -92.36 -38.94 11.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.427 -179.408 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -83.6 162.8 20.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.12 -175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.72 118.65 24.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.072 -176.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -70.23 144.88 51.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.791 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 40' ' ' ILE . 10.6 tp -109.81 131.34 61.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.403 0.62 . . . . 0.0 110.577 177.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.466 HG12 HD23 ' A' ' 50' ' ' LEU . 25.6 m -127.36 160.98 35.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.655 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -122.42 -40.77 2.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.092 0.472 . . . . 0.0 109.929 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -125.52 165.9 17.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.174 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -65.22 -26.26 39.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 121.063 0.458 . . . . 0.0 110.243 177.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' N ' HG13 ' A' ' 44' ' ' ILE . 12.5 mt-10 -62.83 -44.23 96.7 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.998 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -72.04 -32.85 67.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.773 0.32 . . . . 0.0 110.311 176.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.576 ' O ' HG12 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -63.6 -35.9 74.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.951 178.676 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.89 -35.21 62.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.895 176.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.9 -32.44 73.62 Favored Glycine 0 CA--C 1.51 -0.262 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -59.06 -42.88 91.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.027 -0.587 . . . . 0.0 109.994 172.138 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.576 HG12 ' O ' ' A' ' 47' ' ' ILE . 2.0 mm -66.29 -41.8 89.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.556 176.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 m -58.01 -40.38 80.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.874 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.475 ' HA ' ' HG2' ' A' ' 56' ' ' GLN . . . -65.04 -25.64 67.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.914 177.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -85.09 -29.07 25.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.619 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.11 -49.75 59.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' HG2' ' HA ' ' A' ' 53' ' ' ALA . 2.7 pt20 -65.85 -22.93 66.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.209 0.528 . . . . 0.0 110.186 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 53' ' ' ALA . 29.4 t80 -65.99 -38.05 87.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.495 174.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -74.1 -10.28 59.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 176.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 m -89.92 -35.8 15.38 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.307 0.575 . . . . 0.0 109.714 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.9 m -78.65 -22.87 46.23 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.793 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.39 -59.03 11.29 Favored Pre-proline 0 C--O 1.22 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.031 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.98 -29.29 75.54 Favored 'Trans proline' 0 C--N 1.354 0.861 0 C-N-CA 122.051 1.834 . . . . 0.0 112.258 -178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -49.78 39.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.284 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.72 -26.31 61.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.472 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -60.25 -47.5 85.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.909 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -64.23 -37.59 88.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.116 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -62.21 -31.5 72.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.605 -179.068 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.486 ' HD2' ' OD1' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -61.48 -34.42 75.44 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.86 0.362 . . . . 0.0 110.736 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -24.57 18.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.38 178.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.463 ' HB3' ' HA ' ' A' ' 67' ' ' GLU . . . -69.87 -8.15 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.555 0.693 . . . . 0.0 110.504 175.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.26 -39.83 11.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.162 -0.926 . . . . 0.0 108.782 176.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.59 ' O ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -71.19 -22.65 62.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.018 173.627 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.75 -41.57 64.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.488 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.26 -39.54 72.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.703 0.764 . . . . 0.0 109.86 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.553 ' HB2' ' CE2' ' A' ' 17' ' ' TYR . 11.7 t-160 -58.1 -37.62 74.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.456 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 72' ' ' LEU . 1.1 mmmp? -55.03 -43.08 73.4 Favored 'General case' 0 C--N 1.311 -1.106 0 O-C-N 123.776 0.673 . . . . 0.0 110.794 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -36.33 73.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 110.428 -177.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.3 -12.68 42.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.564 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -94.99 -36.58 11.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.008 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -65.57 -24.94 67.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -175.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.669 HG21 HG21 ' A' ' 10' ' ' ILE . 2.3 pp -71.97 -31.76 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.824 0.345 . . . . 0.0 110.651 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.23 -16.78 48.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.38 0.61 . . . . 0.0 110.209 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -85.06 -39.9 17.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.378 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -84.45 -28.64 26.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.484 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.447 ' HB2' HG23 ' A' ' 87' ' ' ILE . 4.9 m-80 -122.9 139.02 54.49 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -86.04 60.01 5.98 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.532 0.682 . . . . 0.0 109.75 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.447 HG23 ' HB2' ' A' ' 85' ' ' ASN . 1.3 pt -73.13 -170.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.834 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.66 91.57 3.01 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 176.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 89' ' ' LEU . 4.3 mt -58.03 92.33 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.787 175.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -50.96 67.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.263 0.554 . . . . 0.0 110.036 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.446 ' O ' ' HD3' ' A' ' 94' ' ' PRO . . . -116.54 98.46 0.81 Allowed Glycine 0 N--CA 1.441 -1.013 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.73 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.27 -31.16 68.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.293 0.568 . . . . 0.0 109.481 176.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -130.44 73.68 81.0 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.136 177.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' A' ' 91' ' ' GLY . 53.4 Cg_endo -73.24 -34.56 5.96 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.783 1.655 . . . . 0.0 110.582 173.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -133.7 -35.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.008 -0.997 . . . . 0.0 108.42 176.782 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.537 HG23 ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -83.5 71.78 10.3 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.416 -178.267 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.92 42.92 0.66 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 122.541 1.162 . . . . 0.0 110.618 175.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.573 HG21 HD12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -137.95 106.78 4.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.153 0 CA-C-N 113.891 -1.504 . . . . 0.0 109.774 -178.168 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.593 HG22 ' HD2' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -80.49 154.05 73.85 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.593 ' HD2' HG22 ' A' ' 99' ' ' THR . 9.5 Cg_endo -53.35 -39.6 80.87 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.888 2.392 . . . . 0.0 112.208 179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -70.03 -34.21 72.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.246 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.89 -44.18 96.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.346 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.573 HD12 HG21 ' A' ' 98' ' ' VAL . 1.9 tt -76.81 -36.58 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 111.432 -177.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.486 ' OD1' ' HD2' ' A' ' 68' ' ' ARG . 0.6 OUTLIER -75.47 -45.91 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.732 0.301 . . . . 0.0 111.136 -176.798 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 39.9 m -69.82 -23.91 63.38 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.161 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -74.97 -38.34 61.69 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -59.81 -42.67 93.97 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 171.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -34.31 76.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.72 178.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -66.82 -38.76 87.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.97 0.414 . . . . 0.0 110.143 175.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 114' ' ' VAL . 54.6 t -61.88 -45.25 99.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.162 175.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -64.42 -20.72 66.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.154 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -27.86 27.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.495 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 3.2 mt -92.34 -17.57 24.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.144 -178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.657 ' HB ' ' HD3' ' A' ' 115' ' ' PRO . 16.0 t -56.46 -54.17 56.21 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.228 176.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.657 ' HD3' ' HB ' ' A' ' 114' ' ' VAL . 23.7 Cg_exo -65.83 -25.31 53.17 Favored 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 122.494 2.13 . . . . 0.0 112.169 178.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -54.02 35.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.182 0.515 . . . . 0.0 109.656 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -31.52 70.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.535 177.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.512 ' HB2' ' HA ' ' A' ' 115' ' ' PRO . 0.2 OUTLIER -61.9 -33.96 75.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.272 0.558 . . . . 0.0 109.794 178.563 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -87.59 -39.82 14.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.444 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.38 -35.57 77.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.507 177.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 50' ' ' LEU . 21.4 mt -71.15 -51.23 26.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.733 177.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 125' ' ' GLN . 0.1 OUTLIER -57.18 -45.26 83.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.749 -179.599 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -31.51 72.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.812 0.339 . . . . 0.0 111.076 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 127' ' ' LYS . 15.9 tp10 -83.8 -48.18 10.35 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.057 -178.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.413 ' HG2' ' HA ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -63.29 -24.64 67.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.706 -175.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.6 m -87.13 -2.71 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.769 0.318 . . . . 0.0 111.439 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 124' ' ' GLU . 0.5 OUTLIER -105.18 -5.13 20.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.216 0.531 . . . . 0.0 110.176 176.215 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.461 ' HB3' HG22 ' A' ' 44' ' ' ILE . 2.6 mt-30 -100.71 -47.82 4.71 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.658 0.742 . . . . 0.0 110.447 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.305 -1.353 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.054 177.164 . . . . . . . . 1 1 . 1 stop_ save_